In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 9th, 2007 | 30 | No |
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) | 3.44 | 8.05 | -64.01 | 0 | 6 | -1 | 79 | 426.876 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.89 | 8.39 | -18.47 | 1 | 6 | 0 | 76 | 427.884 | 5 | ↓ |