UCSF

ZINC00565316

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 No

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) -2.04 7.85 -37.58 0 2 1 17 178.255 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0913462A1; EP0913515A1; EP0915150A1; US4005029; US4006092; WO1999023196A1 IBM Patent Data

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