UCSF

ZINC55034034

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 No

Popular Name: 4,5-dicyclopropyl-2-[[(2R)-2-(m-tolyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione 4,5-dicyclopropyl-2-[[(2R)-2-(m-…

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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) 2.76 14.92 -31.16 1 4 1 27 355.531 5 ↓
Hi High (pH 8-9.5) 2.76 13.26 -10.18 0 4 0 26 354.523 5 ↓

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

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