In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2010 | 29 | 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) | 1.89 | 6.34 | -14.59 | 1 | 7 | 0 | 78 | 413.547 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 8.47 | -50.91 | 2 | 7 | 1 | 80 | 414.555 | 5 | ↓ |