UCSF

ZINC06541164

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 24 Yes

Popular Name: 3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-7-methyl-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-5 3-[[5-(4-bromophenyl)tetrazol-2-…

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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) 3.15 8.5 -39.24 1 7 1 79 404.273 3 ↓
Mid Mid (pH 6-8) 3.15 8.1 -13.53 0 7 0 78 403.265 3 ↓

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

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