UCSF

ZINC34364915

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 14 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) 0.50 5.09 -13.76 1 3 0 50 187.198 1
Hi High (pH 8-9.5) 1.80 3.82 -49.87 0 3 -1 53 186.19 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0343574A1; EP0343574B1; US5081121 IBM Patent Data

Activity (Go SEA)

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