UCSF

ZINC13262093

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 33 No

Popular Name: (E)-3-[4-methoxy-3-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepin-3-yl)phenyl]sulfamoyl]phe (E)-3-[4-methoxy-3-[[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) 3.47 8.62 -61.12 1 9 -1 126 467.527 7 ↓
Hi High (pH 8-9.5) 3.47 8.69 -102.69 0 9 -2 128 466.519 7 ↓

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

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