In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 12 | Yes |
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) | 1.71 | 2.71 | -46.19 | 3 | 2 | 1 | 41 | 179.268 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.71 | 2.31 | -7.67 | 2 | 2 | 0 | 39 | 178.26 | 1 | ↓ |