UCSF

ZINC39350743

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 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) 1.77 4.25 -40.35 2 5 1 49 284.424 3
Hi High (pH 8-9.5) 1.77 2.98 -5.64 1 5 0 45 283.416 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6066636; WO2000000488A1 IBM Patent Data

Activity (Go SEA)

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