UCSF

ZINC53898469

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 26 Yes

Popular Name: 1-[(5-chloro-1-methyl-imidazol-2-yl)methyl]-4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridine 1-[(5-chloro-1-methyl-imidazol-2…

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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) 2.72 6.28 -10.66 0 6 0 49 377.872 6 ↓
Mid Mid (pH 6-8) 2.72 6.5 -34.34 1 6 1 50 378.88 6 ↓
Mid Mid (pH 6-8) 2.72 8.56 -43 1 6 1 50 378.88 6 ↓
Lo Low (pH 4.5-6) 2.72 8.73 -112.98 2 6 2 51 379.888 6 ↓

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Rings

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

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