In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 18 | 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) | 3.13 | 5.29 | -6.31 | 0 | 3 | 0 | 36 | 248.37 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.13 | 7.04 | -36.79 | 1 | 3 | 1 | 37 | 249.378 | 1 | ↓ |