| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 29 | 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) | 3.92 | 9.66 | -97.16 | 3 | 5 | 2 | 42 | 426.045 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 10.45 | -76.05 | 2 | 5 | 1 | 44 | 425.037 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 8.06 | -25.15 | 1 | 5 | 0 | 43 | 424.029 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 7.27 | -36.33 | 2 | 5 | 1 | 40 | 425.037 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.92 | 7.66 | -29.54 | 2 | 5 | 1 | 40 | 425.037 | 10 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 10.53 | -84.05 | 3 | 5 | 2 | 42 | 426.045 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 3.92 | 11.66 | -195.54 | 4 | 5 | 3 | 43 | 427.053 | 10 | ↓ |
No pre-computed analogs available. Try a structural similarity search.