UCSF

ZINC20350768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 13 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) 1.81 3.49 -6.16 2 3 0 41 173.219 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0518530A2; EP0518530B1; US5153196; US5196421 IBM Patent Data

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

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