UCSF

ZINC71497893

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 27 Yes

Popular Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-piperidyl]methanone (4-methoxy-3,5-dimethyl-phenyl)-…

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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) 3.51 10.99 -11.32 1 6 0 71 364.449 4 ↓
Lo Low (pH 4.5-6) 3.51 11.46 -36.38 2 6 1 72 365.457 4 ↓

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

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