UCSF

ZINC03258045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 26 Yes

Popular Name: [4-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)cyclohexyl]-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone [4-(4-methyl-1,4-diazepan-4-ium-…

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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) 1.02 10.57 -82.84 2 6 2 49 366.55 2 ↓
Hi High (pH 8-9.5) 1.02 8.52 -43.42 1 6 1 48 365.542 2 ↓

Activity (Go SEA)

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