| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 13th, 2011 | 32 | Yes |
Popular Name: (2R)-1-[2-(4-phenylpiperazin-1-yl)ethyl]-2-(4-pyridylmethyl)-2,3-dihydroquinazolin-4-one (2R)-1-[2-(4-phenylpiperazin-1-y…
| 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) | 3.15 | 9.35 | -13.55 | 1 | 6 | 0 | 52 | 427.552 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 9.81 | -44.81 | 2 | 6 | 1 | 53 | 428.56 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.15 | 11.58 | -70.43 | 2 | 6 | 1 | 53 | 428.56 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.15 | 12.04 | -118.64 | 3 | 6 | 2 | 54 | 429.568 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![1-[2-(4-phenylpiperazino)ethyl]-2-(4-pyridylmethyl)-2,3-dihydroquinazolin-4-one](http://zinc12.docking.org/img/rings/197351.gif)