In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 8 | Yes |
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) | -0.84 | -5.02 | -37.38 | 5 | 3 | 1 | 68 | 120.172 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.84 | -5.25 | -3.72 | 4 | 3 | 0 | 66 | 119.164 | 3 | ↓ |