UCSF

ZINC12363293

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 10 No

Popular Name: Octahydro-2H-benzimidazole-2-thione Octahydro-2H-benzimidazole-2-thione

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 139237-77-7 , 185546-54-7 , 30086-64-7 , [30086-64-7]

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) 1.54 2.82 -13.21 2 2 0 24 156.254 0 ↓
Lo Low (pH 4.5-6) 1.58 2.42 -25.55 2 2 1 26 157.262 0 ↓
Lo Low (pH 4.5-6) 1.58 2.39 -25.52 2 2 1 26 157.262 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 134 - 136 Enamine Building Blocks
MP 134...136 Enamine Building Blocks
MP 200 - 202 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0760658A1; WO1995032710A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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