In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 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) | 0.55 | 4.32 | -37.41 | 1 | 5 | 1 | 37 | 270.397 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 2.34 | -8.09 | 0 | 5 | 0 | 36 | 269.389 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.55 | 4.52 | -39.7 | 1 | 5 | 1 | 37 | 270.397 | 4 | ↓ |