| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 16 | No |
Popular Name: 2-methyl-3,6-dihydro-[1,2,4]triazepino[2,3-a]benzimidazol-4-one 2-methyl-3,6-dihydro-[1,2,4]tria…
| 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) | 1.59 | 5.57 | -16.26 | 1 | 5 | 0 | 63 | 214.228 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 3.38 | -26.18 | 2 | 5 | 1 | 64 | 215.236 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.59 | 5.09 | -48.93 | 0 | 5 | -1 | 61 | 213.22 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.