UCSF

ZINC53523951

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 32 Yes

Popular Name: (1S)-1-(1H-benzimidazol-2-yl)-N-[[2-(4-methoxyphenyl)-7-methyl-3-quinolyl]methyl]ethanamine (1S)-1-(1H-benzimidazol-2-yl)-N-…

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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) 5.36 10.49 -13.18 2 5 0 63 422.532 6 ↓
Lo Low (pH 4.5-6) 5.36 11.85 -105.73 4 5 2 69 424.548 6 ↓
Lo Low (pH 4.5-6) 5.36 11.3 -77.56 4 5 2 65 424.548 6 ↓

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

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