UCSF

ZINC01386441

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 10 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) -1.40 0.98 -26.29 1 4 0 63 143.142 2

Vendor Notes

Note Type Comments Provided By
melting_point 89 - 90 KeyOrganics
PUBCHEM_PATENT_ID WO2000056826A1 IBM Patent Data

Activity (Go SEA)

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