In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2010 | 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) | 6.03 | 8.46 | -14.35 | 2 | 9 | 0 | 129 | 441.513 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.03 | 8.56 | -48.54 | 1 | 9 | -1 | 131 | 440.505 | 7 | ↓ |