UCSF

ZINC71624391

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 14 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) 0.69 3.81 -52.26 3 5 0 94 201.222 4
Hi High (pH 8-9.5) 0.69 3.52 -53.01 2 5 -1 92 200.214 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0135429A1; EP0135429B1 IBM Patent Data

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

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