UCSF

ZINC00896759

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 Yes

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) 1.71 -5.3 -47.82 4 5 1 74 358.458 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0107855A1; EP0170090A1; EP0250796A2; US4282215; US4402962; US4404208; US4404209; US4404210; US4404211; US4407804; US4407805; US4477457; US4668685; US4673679; US4722928; US4990617; US5071985 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100313; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100313; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem

Activity (Go SEA)

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