| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 20 | Yes |
Popular Name: 3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]-N-methyl-propanamide 3-[(7-chloro-4-oxo-3H-quinazolin…
| 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) | 0.68 | 1.39 | -12.46 | 3 | 6 | 0 | 87 | 294.742 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | -1.18 | -44.72 | 2 | 6 | -1 | 90 | 293.734 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.68 | 2.73 | -58.1 | 4 | 6 | 1 | 91 | 295.75 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.14 | 0.16 | -48.2 | 3 | 6 | 0 | 95 | 294.742 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
