UCSF

ZINC59668132

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 19 No

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Annotations

Vendors

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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) 2.79 6.72 -8.76 0 3 0 28 261.365 9
Lo Low (pH 4.5-6) 2.79 6.76 -22.73 1 3 0 29 262.373 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0336391A2 IBM Patent Data

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