| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2011 | 21 | Yes |
Popular Name: 6-chloro-2-[(4-ethylpiperazin-1-yl)methyl]-3H-quinazolin-4-one 6-chloro-2-[(4-ethylpiperazin-1-…
| 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) | 1.82 | 6.11 | -43.75 | 2 | 5 | 1 | 53 | 307.805 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 3.83 | -8.32 | 1 | 5 | 0 | 52 | 306.797 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
