| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 21 | No |
Popular Name: (3S)-3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3H-1,2,4-triazole-5-carboxylic (3S)-3-(2,2,3,3,4,4,4-heptafluor…
| 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) | 0.49 | 0.54 | -62.57 | 3 | 7 | 1 | 110 | 325.12 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | -1.65 | -30.28 | 1 | 7 | -1 | 114 | 323.104 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.67 | -2.66 | -90.18 | 0 | 7 | -2 | 113 | 322.096 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.49 | 0.4 | -23.55 | 2 | 7 | 0 | 108 | 324.112 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.67 | -1.5 | -28.05 | 2 | 7 | 0 | 116 | 324.112 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
