UCSF

ZINC52509453

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 33 Yes

Popular Name: BIX 02189 BIX 02189

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1094614-85-3 , [1094614-85-3]

Download: MOL2 SDF SMILES Flexibase

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) 3.39 11.38 -49.74 3 6 1 70 441.555 6 ↓
Ref Reference (pH 7) 3.39 11.02 -45.85 3 6 1 70 441.555 6 ↓
Hi High (pH 8-9.5) 3.39 8.59 -12.35 2 6 0 68 440.547 6 ↓
Hi High (pH 8-9.5) 3.39 8.94 -12.18 2 6 0 68 440.547 6 ↓

Vendor Notes

Note Type Comments Provided By
Target MEK Selleck Chemicals

Activity (Go SEA)

Rings

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