UCSF

ZINC66639783

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2,5-difluoro-N-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methyl]benzamide 2,5-difluoro-N-[(4-isopropyl-5-s…

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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) 1.14 6.84 -13.99 2 5 0 63 312.345 4 ↓
Mid Mid (pH 6-8) 1.86 6.65 -43.92 1 5 -1 60 311.337 4 ↓

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

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