UCSF

ZINC66054366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 32 Yes

Popular Name: (3S,4R)-1-tert-butyl 3-methyl 4-(8-pivaloyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)pyrrolidine-1,3-dicarboxylate (3S,4R)-1-tert-butyl 3-methyl 4-…

Find On: PubMed — Wikipedia — Google

CAS Number: 1420780-19-3

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) 3.78 11.37 -18.42 0 8 0 89 445.56 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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

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