UCSF

ZINC34319566

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 16 No

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) -0.49 -0.47 -9.35 2 6 0 84 338.101 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0457326A1; US5449664 IBM Patent Data

Activity (Go SEA)

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