UCSF

ZINC62876314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2011 20 Yes

Popular Name: (3S)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-piperidine-3-carboxylic (3S)-1-(imidazo[1,2-a]pyrimidin-…

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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) 0.68 10.29 -55.58 1 6 0 75 274.324 3 ↓
Hi High (pH 8-9.5) 0.68 8.45 -59.9 0 6 -1 74 273.316 3 ↓

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

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