UCSF

ZINC22759048

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 Yes

Popular Name: 4-bromo-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-3-yl)phenyl]-3-methyl-benz 4-bromo-N-[4-fluoro-3-(6,7,8,9-t…

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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) 4.81 9.5 -19.6 1 6 0 77 479.375 4 ↓
Mid Mid (pH 6-8) 4.81 9.57 -40.45 0 6 -1 79 478.367 4 ↓

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Rings

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

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