In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 1st, 2009 | 31 | 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) | 2.78 | 7.52 | -71.82 | 1 | 7 | 1 | 87 | 442.513 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 4.68 | -21.37 | 0 | 7 | 0 | 86 | 441.505 | 3 | ↓ |