UCSF

ZINC03817546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 24 Yes

CAS Numbers: 593960-11-3 , N/A , [593960-11-3]

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) 1.39 0.08 -20.07 3 7 0 108 389.886 6

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.56e-02 g/l DrugBank-experimental
Target PI3K, VEGFR Selleck Chemicals

Activity (Go SEA)

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

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