UCSF

ZINC55042254

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 Yes

Popular Name: N-[(1R)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-1-ethyl-piperidin-4-amine N-[(1R)-1-[2-(azocan-1-yl)-4-met…

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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) 4.01 11.84 -36.68 2 5 1 45 360.57 5 ↓
Mid Mid (pH 6-8) 4.01 10.55 -41.43 2 5 1 49 360.57 5 ↓

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

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