In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2010 | 50 | 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) | 0.82 | 5.39 | -52.44 | 7 | 15 | 1 | 215 | 703.906 | 19 | ↓ |
Mid Mid (pH 6-8) | 0.82 | 5.9 | -27.31 | 6 | 15 | 0 | 214 | 702.898 | 19 | ↓ |