UCSF

ZINC32228281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 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) 1.10 6.49 -8.61 2 5 0 79 265.309 9
Mid Mid (pH 6-8) 1.10 6.82 -52.7 3 5 1 80 266.317 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5599947; US5672769; US5859052; US5929110; US5952377 IBM Patent Data

Activity (Go SEA)

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