UCSF

ZINC08214470

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 55 No

Popular Name: Vindesine Vindesine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53643-48-4 , 59917-39-4

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) 3.73 -5.38 -120.07 8 12 2 167 755.957 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 7.00e-02 g/l DrugBank-approved
Patent Database Links EP1531181; EP1537858; EP1538164; EP1580188; EP1611879; EP1717247; EP1738759; EP1772452; EP1803810; EP1808173; EP1849480; EP1889624; EP1900742; EP1932527; EP1938798; EP1949898; EP1967189; EP1977765; EP1990342; US2001020038; US2004054186; US2004073026; US20 ChEBI
Patent Database Links EP1719527; EP1728863; EP1834637; EP1872798 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01038v; 1 sulfuric acid NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01038v; SALT: 1 sulfuric acid; SUPPLIER_COMMENTS: due to low density this is split into two vials 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.