UCSF

ZINC39389885

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 16 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) 2.43 5.88 -49.02 2 3 1 43 237.71 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0402644A1; EP0542136A1; EP0957102A1; EP0959075A1; EP0959076A1; EP0963984A1; EP1052255A1; US5776963 IBM Patent Data

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