UCSF

ZINC00897734

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 20 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) 1.76 0.57 -11.99 3 5 0 91 270.24 1
Hi High (pH 8-9.5) 1.76 1.34 -43.89 2 5 -1 94 269.232 1

Vendor Notes

Note Type Comments Provided By
M.P. 295 C Indofine
MP 295o C Indofine
SOLUBILITY Soluble in Toluene:Methanol (50:25) Indofine
PUBCHEM_PATENT_ID US6099845; WO1998027970A2 IBM Patent Data

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

No pre-computed analogs available. Try a structural similarity search.