UCSF

ZINC43221237

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 35 No

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

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) 0.40 10.46 -58.68 1 10 -1 148 471.449 6 ↓
Mid Mid (pH 6-8) 0.41 13.27 -55.37 2 10 0 153 472.457 6 ↓
Mid Mid (pH 6-8) 0.40 11.49 -47.08 2 10 0 153 472.457 6 ↓

Activity (Go SEA)

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