| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2010 | 20 | No |
Popular Name: (2S)-2-cyano-N-(o-tolyl)-3-oxo-3-(thiadiazol-4-yl)propanamide (2S)-2-cyano-N-(o-tolyl)-3-oxo-3…
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| 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) | 1.50 | 5.25 | -43.94 | 1 | 6 | -1 | 102 | 285.308 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 3.61 | -124.29 | 0 | 6 | -2 | 108 | 284.3 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.65 | 5.97 | -12.34 | 1 | 6 | 0 | 96 | 286.316 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
