UCSF

ZINC67489803

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 Yes

Popular Name: N-[[(3S)-1-[(6-chloro-2-methyl-imidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-3-yl]methyl]acetamide N-[[(3S)-1-[(6-chloro-2-methyl-i…

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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) 1.84 7.94 -50.25 2 5 1 51 321.832 4 ↓
Hi High (pH 8-9.5) 1.84 5.6 -12.39 1 5 0 50 320.824 4 ↓
Lo Low (pH 4.5-6) 1.84 8.38 -104.67 3 5 2 52 322.84 4 ↓

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

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