| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: Creatine monohydrate Creatine monohydrate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 284664-86-4 , 57-00-1 , 57-00-1; 6020-87-7 , 6020-87-7 , [17050-09-8] , [57-00-1] , [6020-87-7]
(alpha-Methylguanido)acetic acid
(N-methylcarbamimidamido)acetate; N-[amino(imino)methyl]-N-methylglycinate
2-(1-methylcarbamimidamido)acetic acid
2-(1-methylguanidino)acetic acid
2-(amidinomethylamino)acetic acid
2-(amidinomethylamino)acetic acid, oxamethane
CHEBI:41678; CHEBI:23404; CHEBI:3909; CHEBI:14028
CREATINE-(METHYL-D3) MONOHYDRATE
N-Amidinosarcosine monohydrate
N-carbamimidoyl-N-methylglycine
N-[amino(imino)methyl]-N-methylglycine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.25 | -1.63 | -41.1 | 4 | 5 | 0 | 94 | 131.135 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 292 | Acros Organics |
| ALOGPS_SOLUBILITY | 4.11e+00 g/l | DrugBank-nutriceuticals |
| UniProt Database Links | ASB9_HUMAN; ASB9_MOUSE; CAN3_HUMAN; CAV3_HUMAN; CREA_BACB0; CREA_FLASU; CREA_PSEPU; CRNA_PSEPU; DYSF_HUMAN; ENOB_HUMAN; FKRP_HUMAN; FKTN_HUMAN; GAMTA_XENLA; GAMTB_XENLA; GAMT_BOVIN; GAMT_DANRE; GAMT_HUMAN; GAMT_MOUSE; GAMT_RAT; GAMT_XENTR; GATM_BOVIN; GAT | ChEBI |
| Melting_Point | ca 290? dec. | Alfa-Aesar |
| Melting_Point | ca 290° dec. | Alfa-Aesar |
| Melting_Point | ca 292? dec. | Alfa-Aesar |
| Melting_Point | ca 292° dec. | Alfa-Aesar |
| Patent Database Links | EP1302465; EP1685843; EP1688139; US2006135822; WO2006124494 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_11155; REACT_11156; REACT_11191; REACT_2094 | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.