In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 20 | 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) | 1.85 | 5.95 | -41.03 | 4 | 4 | 1 | 55 | 269.372 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 6.4 | -86.6 | 5 | 4 | 2 | 57 | 270.38 | 2 | ↓ |