In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 29th, 2009 | 13 | 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) | 0.30 | 3.16 | -82.01 | 5 | 3 | 2 | 54 | 181.283 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 2.72 | -46.54 | 4 | 3 | 1 | 53 | 180.275 | 5 | ↓ |