| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 22 | 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) | 2.21 | 7.66 | -15.96 | 2 | 6 | 0 | 68 | 316.386 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 6.58 | -39.18 | 1 | 6 | -1 | 75 | 315.378 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 8.28 | -39.26 | 3 | 6 | 1 | 69 | 317.394 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
