UCSF

ZINC43221147

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 37 No

Popular Name: (1R,3S,3aS,6aS)-3-benzyl-1-(4-cyanophenyl)-5-(3-nitrophenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3 (1R,3S,3aS,6aS)-3-benzyl-1-(4-cy…

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) 1.33 12.47 -52.89 1 10 -1 159 495.471 6 ↓
Lo Low (pH 4.5-6) 1.33 14.51 -62.43 2 10 0 164 496.479 6 ↓
Lo Low (pH 4.5-6) 1.33 13.38 -51.07 2 10 0 164 496.479 6 ↓

Activity (Go SEA)

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