In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2010 | 22 | No |
Popular Name: N-[4-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)thiazol-2-yl]pyridine-2-carboxamide N-[4-methyl-5-(4-methyl-5-thioxo…
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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) | 1.41 | 6.6 | -50.23 | 1 | 7 | -1 | 86 | 331.406 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.48 | 5.07 | -100.41 | 0 | 7 | -2 | 92 | 330.398 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 6.52 | -16.97 | 2 | 7 | 0 | 88 | 332.414 | 3 | ↓ |