UCSF

ZINC64219879

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 22 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) 6.42 15.06 -43.96 0 2 -1 40 303.466 14
Lo Low (pH 4.5-6) 6.42 13.09 -5.81 1 2 0 37 304.474 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0951283A1; US5753702; US6140364 IBM Patent Data

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

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