In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 18th, 2007 | 28 | 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) | 3.23 | 7.5 | -55.94 | 0 | 6 | -1 | 79 | 445.289 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.64 | -1.01 | -12.63 | 0 | 6 | 0 | 72 | 446.297 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 6.58 | -20.98 | 1 | 6 | 0 | 76 | 446.297 | 6 | ↓ |