UCSF

ZINC78062595

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2012 16 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) 0.45 5.09 -31.13 3 5 0 94 229.276 4
Hi High (pH 8-9.5) 0.45 4.85 -46.14 2 5 -1 92 228.268 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0417454A3 IBM Patent Data

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

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