UCSF

ZINC34226388

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 21 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) -0.89 5.59 -62.91 0 7 -1 96 318.371 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4296113; US4311697; US4330548 IBM Patent Data

Activity (Go SEA)

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