In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 16 | 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) | 2.05 | 4.56 | -13.04 | 2 | 4 | 0 | 53 | 217.272 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 4.73 | -25.41 | 3 | 4 | 1 | 54 | 218.28 | 2 | ↓ |