In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 21 | 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) | 0.97 | 1.94 | -43.44 | 3 | 5 | 1 | 59 | 297.419 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 3.82 | -115.15 | 4 | 5 | 2 | 60 | 298.427 | 1 | ↓ |