| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 21 | No |
| 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) | -2.65 | 8.12 | -48.01 | 1 | 7 | 0 | 93 | 304.379 | 4 | ↓ |
| Ref Reference (pH 7) | -2.65 | 5.79 | -32.38 | 2 | 7 | 1 | 90 | 305.387 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.76 | 7.3 | -49.77 | 1 | 7 | -1 | 93 | 303.371 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 7.44 | -46.83 | 1 | 7 | -1 | 93 | 303.371 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.65 | 5.75 | -34.1 | 2 | 7 | 1 | 90 | 305.387 | 4 | ↓ |
| Mid Mid (pH 6-8) | -2.65 | 5.62 | -48.39 | 1 | 7 | 0 | 88 | 304.379 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.66 | 8.82 | -34.02 | 2 | 7 | 1 | 90 | 305.387 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![2-[2-(1-pyrrolin-1-ium-1-yl)thiazol-4-yl]ethylidene-(1H-1,2,4-triazol-5-yl)amine](http://zinc12.docking.org/img/rings/359546.gif)