In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 33 | Yes |
Popular Name: 2-[(4-benzyl-1-piperazinyl)methyl]-3-(2-methoxyphenyl)-4(3H)-quinazolinone 2-[(4-benzyl-1-piperazinyl)methy…
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) | 3.75 | 12.88 | -43.89 | 1 | 6 | 1 | 52 | 441.555 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 12.98 | -48.85 | 1 | 6 | 1 | 52 | 441.555 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.75 | 10.6 | -13.79 | 0 | 6 | 0 | 51 | 440.547 | 6 | ↓ |