In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 13 | 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) | -0.31 | -0.91 | -47.61 | 5 | 4 | 1 | 69 | 183.231 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.31 | -0.71 | -5.82 | 4 | 4 | 0 | 68 | 182.223 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.31 | -0.13 | -42.06 | 5 | 4 | 1 | 72 | 183.231 | 5 | ↓ |