UCSF

ZINC43222009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 28 No

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

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) 0.20 8.48 -45.45 2 7 0 118 383.448 4 ↓
Hi High (pH 8-9.5) 0.20 8.72 -56.9 1 7 -1 113 382.44 4 ↓
Mid Mid (pH 6-8) 0.20 7.57 -52.73 1 7 -1 113 382.44 4 ↓

Activity (Go SEA)

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