| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 21st, 2010 | 21 | Yes |
Popular Name: 7-chloro-2-[[(5-methylisoxazol-3-yl)methylamino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[(5-methylisoxazol-3…
| 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) | 1.65 | 5.19 | -60.19 | 3 | 6 | 1 | 88 | 305.745 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 1.25 | -44.63 | 1 | 6 | -1 | 87 | 303.729 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.65 | 3.83 | -14.58 | 2 | 6 | 0 | 84 | 304.737 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 2.61 | -47.49 | 2 | 6 | 0 | 91 | 304.737 | 4 | ↓ |
