UCSF

ZINC04897219

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 17 Yes

Other Names:

MFCD00957163

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) 4.23 2.39 -6.33 0 1 0 17 224.303 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0332331A2 IBM Patent Data

Activity (Go SEA)

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