UCSF

ZINC32151099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 10 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) 2.22 5.98 -4.45 0 2 0 26 142.198 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0706082A1; US4396706; US4407939; US4535045; US5677101; US5705329 IBM Patent Data

Activity (Go SEA)

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