UCSF

ZINC22759127

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 32 No

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

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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) 4.57 10.01 -39.62 0 9 -1 125 478.913 5 ↓
Mid Mid (pH 6-8) 4.57 9.94 -20.42 1 9 0 123 479.921 5 ↓

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

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