| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 16 | 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) | 1.56 | 5.78 | -47.54 | 2 | 2 | 1 | 20 | 257.448 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 4.42 | -3.56 | 1 | 2 | 0 | 15 | 256.44 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.56 | 7.87 | -126.95 | 3 | 2 | 2 | 21 | 258.456 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
