UCSF

ZINC34516379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 21 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) 3.35 5.44 -9.71 2 4 0 58 299.399 3
Lo Low (pH 4.5-6) 3.35 5.83 -31.4 3 4 1 59 300.407 3
Lo Low (pH 4.5-6) 3.35 5.89 -42.64 3 4 1 59 300.407 3
Lo Low (pH 4.5-6) 3.35 6.28 -84.77 4 4 2 61 301.415 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0507318A1; EP0507318B1; US5300518; US5420144; US5635519 IBM Patent Data

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

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