UCSF

ZINC34355448

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 15 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) 2.86 7.38 -9.63 0 3 0 43 335.979 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0307751A2; EP0353339A2; EP0356070A1; US4868256; US4868257; US4927956; US4933495; US4965400; US5072025 IBM Patent Data

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