UCSF

ZINC03830538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 28 No

Other Names:

MFCD00669253

Download: MOL2 SDF SMILES Flexibase

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) 3.88 3.8 -18.1 0 4 0 60 404.934 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010405A1; EP0027192A1; EP0032578A1; EP0052917A2; EP0056781A2; EP0067671A2; EP0076158A2; EP0076636A1; EP0083925A1; EP0107941A1; EP0132384A2; EP0136011A2; EP0136011B1; EP0137278A2; EP0165970A1; EP0165970B1; EP0198893A1; EP0198893B1; EP0227836A1; EP022783 IBM Patent Data

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