UCSF

ZINC01693431

Annotations

Vendors

Physical Representations

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) 4.43 11.14 -12.33 0 4 0 53 278.348 10

Vendor Notes

Note Type Comments Provided By
Mp [°C] 35 Acros Organics
Melting_Point 35? Alfa-Aesar
Melting_Point 35° Alfa-Aesar
Boiling_Point 339-340? Alfa-Aesar
Boiling_Point 339-340° Alfa-Aesar
BP [°C] 340 Acros Organics
Solubility: Chloroform, Methanol Toronto Research Chemicals
UniProt Database Links CIART_MOUSE; CP2A4_MOUSE; CP2A5_MOUSE; CRY1_MOUSE; DBP10_NEUCR; DBP3_NEUCR; DBP4_NEUCR; DBP5_NEUCR; DBP7_NEUCR; DBP8_NEUCR; DBP9_NEUCR; DBP_MOUSE; DDX1_HUMAN; DHB4_HUMAN; DHB4_MOUSE; DHB4_RAT; DPOL_ADE02; DPPA_ECOLI; HLF_MOUSE; NAC22_ARATH; NFIL3_BOVIN; N ChEBI
H phrase H360Df: May damage the unborn child. Suspected of damaging fertility Acros Organics
H phrase H360Df: May damage the unborn child. Suspected of damaging fertility; H400: Very toxic to aquatic life Acros Organics
Melting Pt.: N/A Toronto Research Chemicals
P phrase P201: Obtain special instructions before use Acros Organics
P phrase P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P273: Avoid release to the environment; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for br Acros Organics
Therapy plasticiser, suspect endocrine disruptor SMDC Pharmakon
R phrase R61: May cause harm to the unborn child. Acros Organics
R phrase R61: May cause harm to the unborn child.; R50: Very toxic to aquatic organisms.; R62: Possible risk of impaired fertility. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety Acros Organics
Hazard T: Toxic Acros Organics
Hazard T: Toxic; N: Dangerous for the environment Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )