UCSF

ZINC39390674

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 26 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) -1.86 1.77 -29.69 3 10 0 136 395.422 4
Hi High (pH 8-9.5) -1.67 -0.06 -66.23 2 10 -1 143 394.414 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4166115; US4279818; US4304770; US4316019; US4331664; US4364943; US4431643; US4493833; US4544653; US4804752; US4871860; US4877873; US5079369 IBM Patent Data

Activity (Go SEA)

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