In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 27th, 2010 | 14 | Yes |
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) | -1.08 | 6.05 | -82.12 | 3 | 4 | 1 | 61 | 201.29 | 6 | ↓ |
Mid Mid (pH 6-8) | -1.08 | 3.66 | -33.96 | 2 | 4 | 0 | 60 | 200.282 | 6 | ↓ |
Mid Mid (pH 6-8) | -1.08 | 4.91 | -60.68 | 2 | 4 | 0 | 57 | 200.282 | 6 | ↓ |