UCSF

ZINC59614332

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 36 Yes

Popular Name: 2-[(3R)-3-(tert-butoxycarbonylamino)-1-piperidyl]-3-[(2-chloro-5-fluoro-phenyl)methyl]-4-oxo-5H-pyra 2-[(3R)-3-(tert-butoxycarbonylam…

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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) 5.75 9.44 -45.63 2 10 -1 132 518.953 7 ↓
Lo Low (pH 4.5-6) 5.75 10.11 -47.3 3 10 0 133 519.961 7 ↓

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

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