UCSF

ZINC06745272

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 33 Yes

Popular Name: Regorafenib Regorafenib

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1255386-16-3 , 755037-03-7 , [755037-03-7]

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) 4.85 -0.55 -12.57 3 7 0 92 482.821 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.02e-03 g/l DrugBank-approved
Purity 95% Fluorochem
Target c-Kit, Raf, VEGFR Selleck Chemicals

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.