UCSF

ZINC02570889

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: LS-42733 LS-42733

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119802-68-5 , 1215071-07-0 , 99102-04-2

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) 3.08 -1.55 -36.09 3 2 1 36 242.77 4 ↓

Vendor Notes

Note Type Comments Provided By
Indications antidepressant KeyOrganics Bioactives

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

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