In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 33 | 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) | 2.52 | 7.94 | -51.71 | 1 | 8 | 1 | 72 | 449.531 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 7.96 | -50.11 | 1 | 8 | 1 | 72 | 449.531 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 5.69 | -12 | 0 | 8 | 0 | 71 | 448.523 | 7 | ↓ |