| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 9th, 2008 | 17 | Yes |
Popular Name: (4S)-4-(3-pyridyl)-3,4,5,6,7,8-hexahydro-1H-quinazolin-2-one (4S)-4-(3-pyridyl)-3,4,5,6,7,8-h…
| 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) | 1.93 | 4.17 | -10.25 | 2 | 4 | 0 | 54 | 229.283 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.93 | 4.45 | -37.8 | 3 | 4 | 1 | 55 | 230.291 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
