In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2011 | 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) | 2.17 | 3.38 | -11.13 | 1 | 4 | 0 | 56 | 210.229 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 2.62 | -46.84 | 0 | 4 | -1 | 59 | 209.221 | 4 | ↓ |