UCSF

ZINC21540559

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 28 Yes

Popular Name: (7S)-7-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a (7S)-7-(2,4-dichlorophenyl)-5-(4…

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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) 5.54 12.84 -11.51 0 4 0 43 429.204 3 ↓
Mid Mid (pH 6-8) 5.55 13.98 -6.94 1 4 0 46 429.204 3 ↓
Mid Mid (pH 6-8) 5.55 13.17 -42.78 1 4 1 45 430.212 3 ↓

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

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