UCSF

ZINC13435042

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 24 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) -3.65 -3.78 -248.68 3 13 -3 212 384.154 6
Mid Mid (pH 6-8) -3.65 -4.94 -130.59 4 13 -2 209 385.162 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0383190A2; EP0383190B1; US4291024; US4550186; US5071835; US5198425; US5470707 IBM Patent Data

Activity (Go SEA)

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