UCSF

ZINC33979253

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 29 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) -4.11 -1.97 -372.61 2 16 -4 255 478.136 8
Mid Mid (pH 6-8) -4.11 -3.12 -234.98 3 16 -3 253 479.144 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0285057A2; EP0285058A2; EP0285950A2; EP0286898A2; EP0286898B1; EP0302175A2; EP0496412B1; EP0618228A1; US4052439; US4087522; US4092412; US4138432; US4264729; US4894364; US4971996; US5057538; US5089516; US5091310; US5142033; US5202341; US5241060; US525041 IBM Patent Data

Activity (Go SEA)

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