UCSF

ZINC04171682

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 20 Yes

Popular Name: 8-(o-tolylmethylsulfonyl)-2,7,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene 8-(o-tolylmethylsulfonyl)-2,7,9-…

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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) 2.32 3.85 -50.36 0 5 -1 74 286.336 3 ↓
Lo Low (pH 4.5-6) 2.32 -5.05 -47.71 2 5 1 76 288.352 3 ↓
Lo Low (pH 4.5-6) 2.32 -5.17 -20.66 1 5 0 75 287.344 3 ↓

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

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