UCSF

ZINC01682070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 22 No

Other Names:

MFCD00048569

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) 1.38 4.76 -26.8 0 6 0 86 306.314 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5453464 IBM Patent Data

Activity (Go SEA)

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