In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2010 | 35 | 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) | -0.77 | -1.44 | -296.41 | 14 | 11 | 4 | 196 | 490.605 | 15 | ↓ |
Hi High (pH 8-9.5) | -0.77 | -3.15 | -94.42 | 12 | 11 | 2 | 190 | 488.589 | 15 | ↓ |
Hi High (pH 8-9.5) | -0.77 | -4.52 | -49.99 | 11 | 11 | 1 | 186 | 487.581 | 15 | ↓ |
Hi High (pH 8-9.5) | -0.77 | -4.13 | -97 | 12 | 11 | 2 | 187 | 488.589 | 15 | ↓ |