In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 25th, 2010 | 15 | 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) | 0.66 | 5.19 | -61.54 | 1 | 4 | 0 | 48 | 214.309 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 7.68 | -93.57 | 2 | 4 | 1 | 49 | 215.317 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.66 | 5.43 | -44.13 | 1 | 4 | 0 | 48 | 214.309 | 5 | ↓ |