In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 28 | 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) | 4.39 | 6.99 | -10.99 | 2 | 6 | 0 | 82 | 458.754 | 3 | ↓ |
Ref Reference (pH 7) | 4.39 | 6.43 | -11.58 | 2 | 6 | 0 | 82 | 458.754 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 7.75 | -38.04 | 1 | 6 | -1 | 85 | 457.746 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.39 | 7.19 | -41.82 | 1 | 6 | -1 | 85 | 457.746 | 3 | ↓ |