In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2009 | 39 | 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) | 6.40 | 16.32 | -59.27 | 1 | 8 | -1 | 122 | 539.645 | 15 | ↓ |
Mid Mid (pH 6-8) | 6.40 | 17.18 | -112.46 | 0 | 8 | -2 | 125 | 538.637 | 15 | ↓ |