UCSF

ZINC49227383

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 20 No

Popular Name: 1-(3-chloro-2-methyl-phenyl)-3-[[cyclopropyl(methyl)amino]methyl]imidazole-2-thione 1-(3-chloro-2-methyl-phenyl)-3-[…

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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) 2.95 11.09 -16.69 0 3 0 13 307.85 4 ↓
Mid Mid (pH 6-8) 2.95 13.42 -46.49 1 3 1 14 308.858 4 ↓

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

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