UCSF

ZINC66639824

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2011 27 No

Popular Name: 4-fluoro-N-[(1R)-1-[(4-isopropyl-5-sulfanyl-1,2,4-triazol-3-yl)methylcarbamoyl]-2-methyl-propyl]benz 4-fluoro-N-[(1R)-1-[(4-isopropyl…

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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) 1.26 7.51 -14.39 3 7 0 92 393.488 7 ↓
Mid Mid (pH 6-8) 1.99 7.31 -42.48 2 7 -1 89 392.48 7 ↓

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

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