In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 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) | 5.78 | 10.39 | -101.22 | 6 | 5 | 2 | 87 | 463.666 | 10 | ↓ |
Hi High (pH 8-9.5) | 5.78 | 9.89 | -47.41 | 5 | 5 | 1 | 85 | 462.658 | 10 | ↓ |