In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 38 | 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) | 6.88 | 15.1 | -45.19 | 1 | 6 | 1 | 58 | 532.682 | 10 | ↓ |
Hi High (pH 8-9.5) | 6.88 | 12.88 | -11.36 | 0 | 6 | 0 | 57 | 531.674 | 10 | ↓ |