UCSF

ZINC21540622

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 No

Popular Name: (7R)-5-(4-bromophenyl)-7-(3-nitrophenyl)-2-(trifluoromethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrim (7R)-5-(4-bromophenyl)-7-(3-nitr…

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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) 4.84 13.65 -16.75 0 7 0 89 466.217 4 ↓
Hi High (pH 8-9.5) 4.85 13.93 -30.64 0 7 -1 90 465.209 4 ↓
Mid Mid (pH 6-8) 4.84 13.97 -53.8 1 7 1 91 467.225 4 ↓

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

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