UCSF

ZINC36463097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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
Hi High (pH 8-9.5) 1.10 2.01 -8.79 3 4 0 58 261.369 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1030840A1; WO1999025686A1 IBM Patent Data

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