UCSF

ZINC13013729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 21 Yes

Popular Name: 3-(3a-methyl-1,5-dioxo-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinazolin-4(5H)-yl)propanoic acid 3-(3a-methyl-1,5-dioxo-1,2,3,3a-…

Find On: PubMed — Wikipedia — Google

CAS Number: 1049605-28-8

Other Names:

MFCD09971612

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) -0.54 6 -54.9 0 6 -1 81 287.295 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Rings

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