| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2011 | 20 | Yes |
| 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) | 3.19 | 7.67 | -33.28 | 2 | 3 | 1 | 20 | 339.301 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 8.06 | -40.97 | 2 | 3 | 1 | 20 | 339.301 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.19 | 6.11 | -3.17 | 1 | 3 | 0 | 19 | 338.293 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.19 | 9.6 | -113.47 | 3 | 3 | 2 | 21 | 340.309 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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