In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 11 | 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) | 2.37 | 5.31 | -46.85 | 2 | 2 | 1 | 40 | 155.265 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.37 | 4.27 | -4.6 | 1 | 2 | 0 | 36 | 154.257 | 5 | ↓ |