In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 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) | -2.68 | -9.44 | -43.73 | 7 | 6 | 1 | 118 | 196.223 | 6 | ↓ |
Hi High (pH 8-9.5) | -2.68 | -10.89 | -8.88 | 6 | 6 | 0 | 113 | 195.215 | 6 | ↓ |