In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 21 | 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) | 1.96 | 4.25 | -11.57 | 0 | 7 | 0 | 86 | 313.379 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.96 | 6.46 | -49.45 | 1 | 7 | 1 | 88 | 314.387 | 5 | ↓ |