In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 15th, 2005 | 17 | 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) | 1.74 | 5.56 | -10.97 | 1 | 4 | 0 | 47 | 231.299 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 6.04 | -30.11 | 2 | 4 | 1 | 48 | 232.307 | 4 | ↓ |