| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 24 | 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) | -4.55 | -3.95 | -31.01 | 3 | 8 | 1 | 88 | 339.416 | 5 | ↓ |
| Hi High (pH 8-9.5) | -4.09 | -5.7 | -15.17 | 2 | 8 | 0 | 95 | 338.408 | 4 | ↓ |
| Mid Mid (pH 6-8) | -4.55 | -1.64 | -88.75 | 4 | 8 | 2 | 89 | 340.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | -4.09 | -5.62 | -103.77 | 4 | 8 | 2 | 93 | 340.424 | 4 | ↓ |
| Mid Mid (pH 6-8) | -4.09 | -3.33 | -59.7 | 3 | 8 | 1 | 96 | 339.416 | 4 | ↓ |
| Mid Mid (pH 6-8) | -4.09 | -4.1 | -98.66 | 4 | 8 | 2 | 93 | 340.424 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -4.09 | -1.78 | -162.42 | 5 | 8 | 3 | 94 | 341.432 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
