UCSF

ZINC13436738

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 28 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) -4.59 -3.26 -360.62 2 16 -4 255 464.109 8
Mid Mid (pH 6-8) -4.59 -4.42 -224.34 3 16 -3 253 465.117 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0122614A2; EP0122614B1; EP0251786A2; EP0251786B1; EP0271201A2; EP0718300A1; US4582789; US4617261; US4705886; US4719176; US4751313; US4754065; US4803297; US5047519; US5151507; US5639653; US5700935; US5789588; US5902793 IBM Patent Data

Activity (Go SEA)

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