UCSF

ZINC01542929

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 30 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) 5.99 16.76 -47.68 1 3 1 25 419.976 7
Mid Mid (pH 6-8) 5.99 14.48 -9.01 0 3 0 24 418.968 7

Vendor Notes

Note Type Comments Provided By
Indications Antidepressant KeyOrganics Bioactives
Patent Database Links EP1655029 ChEBI
Patent Database Links EP1655029; US2004142904; US2004171682; US2006258715; US2006258721; US2007225279; US2007225379; US2008214559; US2008214613; WO2007088473; WO2007100430; WO2007112014; WO2008116308 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP015615l; 1 hydrogen chloride NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP015615l; SALT: 1 hydrogen chloride 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.