UCSF

ZINC22713057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 Yes

Popular Name: N-(benzyl-oxo-BLAHyl)-2-ethylsulfanyl-benzamide N-(benzyl-oxo-BLAHyl)-2-ethylsul…

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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) 4.55 11.98 -36.02 2 6 0 78 476.627 6 ↓
Hi High (pH 8-9.5) 5.01 11.51 -58.74 1 6 -1 81 475.619 6 ↓

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Rings

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

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