In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 21st, 2011 | 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) | 3.67 | 8.21 | -34.67 | 1 | 3 | 0 | 45 | 221.3 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 9.02 | -50.09 | 0 | 3 | -1 | 43 | 220.292 | 5 | ↓ |