In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 26 | 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) | 2.65 | 7.26 | -60.83 | 0 | 6 | -1 | 83 | 419.251 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 8.08 | -12.25 | 1 | 6 | 0 | 80 | 420.259 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 0.08 | -13.44 | 0 | 6 | 0 | 76 | 420.259 | 6 | ↓ |