UCSF

ZINC34343653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 33 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) -0.24 5.15 -69.11 3 12 -1 172 489.515 8
Lo Low (pH 4.5-6) -0.24 5.62 -81.27 4 12 0 173 490.523 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4918070; US5049665 IBM Patent Data

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