UCSF

ZINC05104768

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 14 No

Other Names:

MFCD08688615

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) 0.56 1.1 -10.58 1 5 0 78 190.158 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0876345A1; US6008230; WO1997014681A1 IBM Patent Data

Activity (Go SEA)

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