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) | 2.01 | 5.78 | -15.62 | 5 | 3 | 0 | 56 | 221.348 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 5.93 | -28.87 | 4 | 3 | 1 | 55 | 220.34 | 5 | ↓ |