UCSF

ZINC34365133

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 20 Yes

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) 6.38 13.08 -4.38 0 1 0 24 269.432 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0283490A1; EP0283490B1; EP0393442A2; EP0393443A2; US5188758 IBM Patent Data

Activity (Go SEA)

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