In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 25 | 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) | 5.54 | 13.59 | -9.23 | 0 | 2 | 0 | 18 | 326.443 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.54 | 14.44 | -27.76 | 1 | 2 | 1 | 19 | 327.451 | 5 | ↓ |