UCSF

ZINC62877525

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 21 Yes

Popular Name: (3S)-3-ethyl-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic (3S)-3-ethyl-1-(imidazo[1,2-a]py…

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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) 1.94 10.71 -76.73 2 5 1 63 288.371 4 ↓
Hi High (pH 8-9.5) 1.94 9.02 -51.92 0 5 -1 61 286.355 4 ↓
Mid Mid (pH 6-8) 1.94 10.61 -35.89 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.