In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2006 | 31 | 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) | 5.46 | 17.38 | -48.58 | 1 | 6 | 1 | 51 | 413.549 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.46 | 17.27 | -14.63 | 0 | 6 | 0 | 50 | 412.541 | 3 | ↓ |