UCSF

ZINC34364936

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) 3.34 6.31 -8.42 0 1 0 17 222.593 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0365913A2; EP0365913B1; EP0365914A2; EP0365914B1; US5104879; US5142092 IBM Patent Data

Activity (Go SEA)

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