UCSF

ZINC02169744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 12 Yes

Other Names:

MFCD00060889

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) 2.83 0.11 -2.64 1 1 0 20 164.248 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000006156A1 IBM Patent Data

Activity (Go SEA)

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