In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 37 | 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) | 2.69 | 9.3 | -76.03 | 3 | 8 | 0 | 115 | 520.655 | 14 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 7.96 | -47.9 | 2 | 8 | -1 | 110 | 519.647 | 14 | ↓ |