In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2005 | 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) | 2.98 | 9.6 | -33.09 | 1 | 3 | 1 | 31 | 248.346 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 7.02 | -6.31 | 0 | 3 | 0 | 30 | 247.338 | 6 | ↓ |