In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 31st, 2009 | 24 | 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) | 2.12 | 7.49 | -60.15 | 1 | 6 | -1 | 69 | 345.448 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 7.65 | -20.81 | 2 | 6 | 0 | 72 | 346.456 | 6 | ↓ |