UCSF

ZINC43211586

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 26 No

Popular Name: (1R,3S,3aS,6aS)-5-tert-butyl-3-isopropyl-4,6-dioxo-1-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrol (1R,3S,3aS,6aS)-5-tert-butyl-3-i…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.45 8.09 -39.12 2 6 0 94 358.438 4 ↓
Hi High (pH 8-9.5) 0.45 7.16 -53.93 1 6 -1 90 357.43 4 ↓

Activity (Go SEA)

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