UCSF

ZINC22708507

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 No

Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-methyl-benzamide N-[[2-(4-diethylaminophenyl)-6-m…

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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) 4.68 13.31 -59.32 3 7 0 76 473.626 8 ↓
Mid Mid (pH 6-8) 4.68 13.21 -25.64 2 7 0 75 472.618 8 ↓

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

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