| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2009 | 20 | Yes |
Popular Name: 2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]-N-ethyl-acetamide 2-[(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) | 1.29 | 3.01 | -59.5 | 4 | 6 | 1 | 91 | 295.75 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | -0.91 | -48.65 | 2 | 6 | -1 | 90 | 293.734 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 0.43 | -50.2 | 3 | 6 | 0 | 95 | 294.742 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.29 | 1.66 | -15.89 | 3 | 6 | 0 | 87 | 294.742 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
