UCSF

ZINC33772311

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 32 No

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

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) 2.14 11.69 -42.34 2 6 0 94 428.488 4 ↓
Hi High (pH 8-9.5) 2.14 10.96 -66.84 1 6 -1 90 427.48 4 ↓
Mid Mid (pH 6-8) 2.14 10.77 -56.41 1 6 -1 90 427.48 4 ↓

Activity (Go SEA)

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