In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 20 | 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) | 1.17 | 1.74 | -44.31 | 1 | 6 | -1 | 98 | 291.308 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 1.64 | -17.54 | 2 | 6 | 0 | 96 | 292.316 | 4 | ↓ |