UCSF

ZINC04824723

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 Yes

Other Names:

MFCD00157285

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) 4.67 3.27 -7.07 0 2 0 26 238.286 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4438112 IBM Patent Data

Activity (Go SEA)

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