UCSF

ZINC34349370

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 12 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) 0.79 5.29 -42.8 3 1 1 28 162.256 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0481671A1; EP0529719A1; US5229267; US5229381; US5274080; US5276139; US5420010 IBM Patent Data

Activity (Go SEA)

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