In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 24 | 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) | 2.47 | 11.4 | -40.7 | 1 | 5 | 1 | 57 | 332.42 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 9.03 | -9.46 | 0 | 5 | 0 | 56 | 331.412 | 7 | ↓ |