UCSF

ZINC34722378

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 25 No

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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) -4.54 3.42 -95.13 2 10 -1 136 359.403 6
Hi High (pH 8-9.5) -4.54 1.81 -114.8 1 10 -2 135 358.395 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0232751A1; EP0232751B1; EP0292689A2; EP0292689B1; EP0369497A1; EP0394394A1; EP0394394B1; US4885363; US4889931; US5474756; US5674470; US5846519; US6143274 IBM Patent Data

Activity (Go SEA)

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