In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 34 | 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) | 2.56 | 8.21 | -52.94 | 2 | 9 | 1 | 100 | 489.618 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.56 | 5.75 | -16.23 | 1 | 9 | 0 | 99 | 488.61 | 9 | ↓ |