| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 28th, 2009 | 27 | No |
Popular Name: 3-methyl-2-sulfanyl-7-[4-(3-thienylmethyl)piperazine-1-carbonyl]quinazolin-4-one 3-methyl-2-sulfanyl-7-[4-(3-thie…
| 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) | 1.32 | 6.92 | -42.49 | 0 | 6 | -1 | 64 | 399.521 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.32 | 9.26 | -75.65 | 1 | 6 | 0 | 66 | 400.529 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 7.34 | -15.14 | 1 | 6 | 0 | 61 | 400.529 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 9.68 | -62.02 | 2 | 6 | 1 | 63 | 401.537 | 3 | ↓ |
