In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 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) | 1.80 | 3.56 | -48.18 | 3 | 3 | 1 | 44 | 211.329 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 5.7 | -119.92 | 4 | 3 | 2 | 45 | 212.337 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 5.09 | -28.78 | 3 | 3 | 1 | 44 | 211.329 | 7 | ↓ |