| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2011 | 23 | No |
Popular Name: 2-[(1S)-1-[(3S)-3-ethylsulfanylazepan-1-yl]ethyl]-3H-quinazolin-4-one 2-[(1S)-1-[(3S)-3-ethylsulfanyla…
| 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) | 3.25 | 7.84 | -21.14 | 1 | 4 | 0 | 49 | 331.485 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.25 | 10.07 | -42.36 | 2 | 4 | 1 | 50 | 332.493 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
