In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 16th, 2010 | 23 | 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) | 4.93 | 13.47 | -43.05 | 1 | 3 | 1 | 22 | 314.497 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.93 | 13.75 | -92.02 | 2 | 3 | 2 | 24 | 315.505 | 9 | ↓ |