In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 20 | Yes |
Popular Name: 7-chloro-2-[[[(2S)-3-methoxy-2-methyl-propyl]amino]methyl]-3H-quinazolin-4-one 7-chloro-2-[[[(2S)-3-methoxy-2-m…
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) | 2.03 | 3.8 | -8.97 | 2 | 5 | 0 | 67 | 295.77 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 2.43 | -44.39 | 2 | 5 | 0 | 75 | 295.77 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 5 | -55.07 | 3 | 5 | 1 | 72 | 296.778 | 6 | ↓ |