UCSF

ZINC58529621

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 25 No

Popular Name: 4,5-dicyclopropyl-2-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]-1,2,4-triazole-3-thione 4,5-dicyclopropyl-2-[[cyclopropy…

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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) 2.25 14.74 -36.82 1 4 1 27 359.494 7 ↓
Hi High (pH 8-9.5) 2.25 12.29 -12.3 0 4 0 26 358.486 7 ↓

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

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