In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2006 | 29 | No |
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) | 0.98 | 6.83 | -47.32 | 2 | 7 | 1 | 88 | 415.539 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.39 | 7.49 | -55.97 | 1 | 7 | 1 | 85 | 415.539 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.98 | 7.11 | -108.06 | 3 | 7 | 2 | 89 | 416.547 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.39 | 7.77 | -121.05 | 2 | 7 | 2 | 86 | 416.547 | 8 | ↓ |