UCSF

ZINC69706205

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 Yes

Popular Name: 1-[4-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-[isopropyl(methyl)amino]ethanone 1-[4-[(5-chloro-1-methyl-imidazo…

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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) 0.89 7.92 -40.31 1 6 1 46 342.895 5 ↓
Hi High (pH 8-9.5) 0.89 5.68 -13.25 0 6 0 45 341.887 5 ↓
Mid Mid (pH 6-8) 0.89 9.78 -99.05 2 6 2 47 343.903 5 ↓
Mid Mid (pH 6-8) 0.89 8.15 -77.43 2 6 2 47 343.903 5 ↓
Lo Low (pH 4.5-6) 0.89 9.96 -180.8 3 6 3 48 344.911 5 ↓

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

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