| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 19th, 2011 | 27 | 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) | 1.84 | 4.96 | -63.97 | 3 | 5 | 1 | 65 | 430.322 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 2.73 | -12.95 | 2 | 5 | 0 | 64 | 429.314 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
