UCSF

ZINC52509366

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: Vemurafenib Vemurafenib

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1029872-54-5 , 918504-65-1 , [1029872-54-5] , [5085-74-5] , [918504-65-1]

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) 5.56 9.83 -43.29 1 6 -1 94 488.923 7 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 260 - 262 KeyOrganics
ALOGPS_SOLUBILITY 3.62e-04 g/l DrugBank-approved
Target Raf Selleck Chemicals

Activity (Go SEA)

Rings

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

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