| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2008 | 33 | No |
Popular Name: 3-allyl-7-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one 3-allyl-7-[4-[(4-ethoxyphenyl)me…
| 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) | 3.08 | 9.56 | -37.52 | 0 | 7 | -1 | 68 | 463.583 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.35 | 9.98 | -16 | 1 | 7 | 0 | 71 | 464.591 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 11.89 | -63.47 | 1 | 7 | 0 | 69 | 464.591 | 7 | ↓ |
