UCSF

ZINC95619103

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

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.05e-02 g/l DrugBank-approved
ALOGPS_SOLUBILITY 7.75e-03 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
UniProt Database Links CMBL_HUMAN ChEBI
Patent Database Links EP1197226; EP1262180; EP1329218; EP1356815; EP1579872; EP1671632; EP1723962; EP1731169; EP1746099; EP1787647; EP1832576; EP1862181; EP1867342; EP1889847; EP1894567; EP1980249; EP1982711; EP1990049; US2006135511; US2006148790; US2006173059; US2007191446; U ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01205o NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01205o NIH Clinical Collection via PubChem

Activity (Go SEA)

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

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