UCSF

ZINC09560724

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 25 Yes

Popular Name: 4-bromo-N-(5-hydroxy-3-methyl-8-propyl-2,6,7,9-tetrazabicyclo[4.3.0]nona-2,4,7,9-tetraen-4-yl)-benze 4-bromo-N-(5-hydroxy-3-methyl-8-…

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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) 2.85 -5.86 -14.65 2 8 0 109 426.296 5 ↓
Hi High (pH 8-9.5) 2.85 -5.31 -35.29 1 8 -1 111 425.288 5 ↓

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Rings

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

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