In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 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) | 1.09 | 1.27 | -18.46 | 3 | 13 | 0 | 159 | 427.425 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.09 | 3.69 | -48.42 | 4 | 13 | 1 | 160 | 428.433 | 7 | ↓ |