UCSF

ZINC15227409

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 20 No

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) 4.37 5.6 -50.73 0 5 -1 74 264.264 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0282303A1; EP0282303B1; EP0282669B1; EP0297734A2; EP0297734B1; EP0454182A2; EP0454182B1; EP0518384B1; US4795484; US4973353; US5094684; US5130475 IBM Patent Data

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

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