UCSF

ZINC67561040

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 25 Yes

Popular Name: (4S)-4-(4-methoxy-3-methyl-phenyl)-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c (4S)-4-(4-methoxy-3-methyl-pheny…

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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) 2.02 8.9 -82.49 3 6 2 61 339.443 4 ↓
Hi High (pH 8-9.5) 2.02 8.11 -11.18 1 6 0 59 337.427 4 ↓
Mid Mid (pH 6-8) 2.02 8.43 -36.89 2 6 1 60 338.435 4 ↓

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

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