In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 14 | 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) | 2.81 | 7.53 | -36.1 | 1 | 2 | 1 | 28 | 193.314 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.81 | 5.56 | -5.84 | 0 | 2 | 0 | 27 | 192.306 | 1 | ↓ |