UCSF

ZINC01705539

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 No

Other Names:

MFCD22371417

NA

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) -0.93 -4 -55.09 3 5 1 66 184.219 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4362831 IBM Patent Data

Activity (Go SEA)

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