UCSF

ZINC21538132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 Yes

Popular Name: (5S)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-5-methyl-3-(p-tolyl)-5H-imidazol-4-one (5S)-2-[4-[2-(4-chlorophenoxy)et…

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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) 4.19 10.8 -8.59 0 6 0 48 426.948 6 ↓
Mid Mid (pH 6-8) 1.20 10.4 -40.6 2 6 1 60 427.956 6 ↓
Mid Mid (pH 6-8) 1.20 12.61 -18.1 1 6 0 58 426.948 6 ↓
Mid Mid (pH 6-8) 1.20 14.92 -66.9 2 6 1 60 427.956 6 ↓

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Rings

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

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