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) | 2.55 | 7.71 | -97.9 | 4 | 4 | 2 | 54 | 291.439 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.55 | 7.18 | -48.22 | 3 | 4 | 1 | 53 | 290.431 | 4 | ↓ |