In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 46 | 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) | 1.86 | 5.11 | -59.87 | 9 | 11 | 1 | 185 | 625.75 | 12 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 4.79 | -23.99 | 8 | 11 | 0 | 184 | 624.742 | 12 | ↓ |