UCSF

ZINC62937171

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 Yes

Popular Name: (3S)-3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-ethyl-1-[(8-methylimidazo…

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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) 2.07 10.66 -88.7 2 5 1 63 288.371 4 ↓
Hi High (pH 8-9.5) 2.07 7.72 -53.69 0 5 -1 61 286.355 4 ↓
Mid Mid (pH 6-8) 2.07 10.29 -42.08 1 5 0 62 287.363 4 ↓

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

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