UCSF

ZINC39295387

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 1.47 8.87 -21.87 1 10 0 139 485.518 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4310459; US4322347; US4374982; US4407755; US4426520; US4518773 IBM Patent Data

Activity (Go SEA)

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