In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 12th, 2011 | 36 | 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) | 5.89 | 14.83 | -46.29 | 3 | 7 | 1 | 81 | 511.021 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.89 | 12.59 | -9.08 | 2 | 7 | 0 | 79 | 510.013 | 9 | ↓ |