In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | 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) | 2.15 | 6.82 | -43.72 | 2 | 5 | 0 | 76 | 258.277 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.15 | 6.35 | -50.86 | 1 | 5 | -1 | 74 | 257.269 | 6 | ↓ |