UCSF

ZINC33923176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 33 No

Popular Name: (3aS,4R,6R,6aR)-4-(5-bromo-2-methoxy-phenyl)-6-(carboxymethyl)-2-(o-tolyl)-1,3-dioxo-3a,4,5,6a-tetra (3aS,4R,6R,6aR)-4-(5-bromo-2-met…

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) 0.55 10.88 -66.26 2 9 -1 143 516.324 6 ↓
Hi High (pH 8-9.5) 0.55 9.93 -134.86 1 9 -2 139 515.316 6 ↓
Mid Mid (pH 6-8) 0.55 8.88 -27.36 3 9 0 141 517.332 6 ↓
Lo Low (pH 4.5-6) 0.55 9.03 -34.21 3 9 0 141 517.332 6 ↓

Activity (Go SEA)

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