UCSF

ZINC39236938

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 12 Yes

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Annotations

Vendors

    None

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) 1.54 1.97 -24.33 3 3 1 50 169.248 2
Mid Mid (pH 6-8) 1.54 1.49 -9.16 2 3 0 49 168.24 2
Mid Mid (pH 6-8) 1.54 1.64 -7.39 2 3 0 49 168.24 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4107307; US4107308; US4124766; US4168964; USRE30511 IBM Patent Data

Activity (Go SEA)

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