In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 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) | -1.81 | 2.01 | -80.4 | 7 | 12 | 0 | 196 | 539.589 | 12 | ↓ |
Mid Mid (pH 6-8) | -1.81 | 1.7 | -59.82 | 6 | 12 | -1 | 194 | 538.581 | 12 | ↓ |