In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2011 | 18 | 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) | 2.76 | 5.17 | -121.81 | 0 | 5 | -2 | 88 | 269.322 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 5.11 | -48.84 | 1 | 5 | -1 | 86 | 270.33 | 5 | ↓ |