UCSF

ZINC00940591

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 31 Yes

Popular Name: (7R)-7-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a] (7R)-7-(3-bromo-4-hydroxy-5-meth…

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Download: MOL2 SDF SMILES Flexibase

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) 3.00 6.38 -12.92 3 10 0 123 487.314 5 ↓
Hi High (pH 8-9.5) 2.78 8.47 -20.42 2 6 0 80 387.848 6 ↓
Hi High (pH 8-9.5) 3.00 7.3 -49.57 2 10 -1 126 486.306 5 ↓
Lo Low (pH 4.5-6) 3.18 6.37 -35.96 4 10 1 128 488.322 5 ↓

Activity (Go SEA)

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