UCSF

ZINC34319203

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 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) 1.39 2.65 -9.51 1 3 0 48 177.203 3
Lo Low (pH 4.5-6) 1.39 4.02 -43 2 3 1 43 178.211 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5789599 IBM Patent Data

Activity (Go SEA)

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