| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 2nd, 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) | 1.28 | 0.43 | -7.41 | 3 | 5 | 0 | 68 | 281.4 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 1.34 | -40.1 | 4 | 5 | 1 | 72 | 282.408 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 2.63 | -42.58 | 4 | 5 | 1 | 69 | 282.408 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 3.54 | -117.34 | 5 | 5 | 2 | 73 | 283.416 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
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