| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 23rd, 2009 | 19 | 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) | 2.53 | 7.84 | -33.38 | 2 | 3 | 1 | 30 | 281.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.53 | 5.58 | -5.36 | 1 | 3 | 0 | 28 | 280.437 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.53 | 9.11 | -111.59 | 3 | 3 | 2 | 34 | 282.453 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
