UCSF

ZINC12360705

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 19 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) 0.38 -7.91 -13.7 4 8 0 119 285.691 2
Lo Low (pH 4.5-6) 0.38 -13.7 -36.29 5 8 1 121 286.699 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0037310A1; EP0191561A2; EP0191561B1; EP0233031B1; EP0555352A1; EP0586523A1; EP0755255A1; EP0883627A1; US4373097; US4374128; US4376116; US4454122; US4794174; US4820692; US4948783; US5180714; US5213972; US5236902; US5563125; US5728684; US5739313; US577342 IBM Patent Data

Activity (Go SEA)

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