UCSF

ZINC79247865

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2012 11 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) 0.76 4.29 -105.34 4 2 2 32 158.289 4
Hi High (pH 8-9.5) 0.76 3.99 -29.15 3 2 1 30 157.281 4
Mid Mid (pH 6-8) 0.76 1.82 -39.79 3 2 1 31 157.281 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0714908B1 IBM Patent Data
PUBCHEM_PATENT_ID EP0714908B1; US5705662 IBM Patent Data

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

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