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) | 1.74 | 3.99 | -48.02 | 3 | 4 | 1 | 49 | 291.415 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 6.08 | -87.78 | 4 | 4 | 2 | 51 | 292.423 | 6 | ↓ |