In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2010 | 15 | No |
Popular Name: 4-Isopropyl-5-(4-methyl-[1,2,3]thiadiazol-5-yl)-4H-[1,2,4]triazole-3-thiol 4-Isopropyl-5-(4-methyl-[1,2,3]t…
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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) | 1.97 | 5.32 | -36.15 | 0 | 5 | -1 | 57 | 240.337 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.24 | 5.12 | -8.13 | 1 | 5 | 0 | 59 | 241.345 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.