In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 31 | No |
None
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) | 0.06 | 2 | -148.69 | 5 | 13 | -2 | 204 | 450.348 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 0.85 | -55.04 | 6 | 13 | -1 | 201 | 451.356 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.06 | 2.47 | -138.94 | 6 | 13 | -1 | 205 | 451.356 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.06 | 1.31 | -61.8 | 7 | 13 | 0 | 202 | 452.364 | 7 | ↓ |