In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | 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) | 2.70 | 6.32 | -47 | 3 | 2 | 1 | 31 | 235.395 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 6.95 | -28.01 | 3 | 2 | 1 | 30 | 235.395 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 5.6 | -1.67 | 2 | 2 | 0 | 29 | 234.387 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 8.2 | -120.66 | 4 | 2 | 2 | 32 | 236.403 | 8 | ↓ |