| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | Yes |
Popular Name: 2-[2-[4-(diethylaminomethyl)-1-piperidyl]ethyl]-3H-quinazolin-4-one 2-[2-[4-(diethylaminomethyl)-1-p…
| 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) | 2.85 | 10.61 | -109.72 | 3 | 5 | 2 | 55 | 344.503 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.31 | 6.63 | -51.76 | 1 | 5 | 0 | 57 | 342.487 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.31 | 8.48 | -100.46 | 2 | 5 | 1 | 58 | 343.495 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
