In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 17 | 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) | 0.87 | 0.22 | -20.18 | 3 | 5 | 0 | 89 | 276.745 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.87 | 0.39 | -40.28 | 2 | 5 | -1 | 91 | 275.737 | 6 | ↓ |