UCSF

ZINC79235030

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2012 15 No

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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) 4.95 10.61 -31.66 1 1 1 4 212.401 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604494A1; EP0604494B1; US5580885; WO1993005038A1 IBM Patent Data

Activity (Go SEA)

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