UCSF

ZINC32191654

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.66 7.35 -14.48 1 6 0 81 382.803 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0663914A1; WO1995004736A1 IBM Patent Data
PUBCHEM_PATENT_ID US5677286; US5932709; WO1996034003A1 IBM Patent Data

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