UCSF

ZINC66640049

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 21 No

Popular Name: N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]-3-methyl-5-(methylamino)isothiazole-4-carboxam N-[(4-isopropyl-5-sulfanyl-1,2,4…

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Physical Representations

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) 0.14 3.59 -14.66 3 7 0 88 326.451 5 ↓
Mid Mid (pH 6-8) 0.87 3.39 -43.48 2 7 -1 85 325.443 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.