UCSF

ZINC22700435

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 Yes

Popular Name: 2-[[4-(4-chlorophenyl)-5-[(1R)-1-dimethylaminoethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxypheny 2-[[4-(4-chlorophenyl)-5-[(1R)-1…

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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) 3.34 11.72 -44.38 2 7 1 73 461.011 9 ↓
Mid Mid (pH 6-8) 3.34 9.28 -12.23 1 7 0 72 460.003 9 ↓

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

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