UCSF

ZINC67974754

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 24 Yes

Popular Name: (4S)-4-(2-chloro-4-fluoro-phenyl)-5-[(4-methyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4, (4S)-4-(2-chloro-4-fluoro-phenyl…

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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) 2.64 9.29 -84.77 4 5 2 63 347.825 3 ↓
Hi High (pH 8-9.5) 2.64 8.32 -10.19 2 5 0 61 345.809 3 ↓
Mid Mid (pH 6-8) 2.64 8.82 -38.77 3 5 1 62 346.817 3 ↓
Mid Mid (pH 6-8) 2.64 8.83 -43.24 3 5 1 62 346.817 3 ↓

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Rings

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

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