| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 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) | 2.49 | 1.74 | -13.8 | 0 | 6 | 0 | 95 | 290.282 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 1.93 | -46.07 | 1 | 6 | 1 | 96 | 291.29 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 1.81 | -32.2 | 1 | 6 | 1 | 96 | 291.29 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.49 | 2.01 | -99.14 | 2 | 6 | 2 | 97 | 292.298 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.