UCSF

ZINC78315787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2012 45 No

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) 9.80 23.92 -58.46 3 7 0 105 664.006 39
Hi High (pH 8-9.5) 9.80 23.5 -54.02 2 7 -1 103 662.998 39

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000006194A2 IBM Patent Data

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

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