UCSF

ZINC39367728

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 10 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) 1.08 4.2 -9.48 0 3 0 43 144.17 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4820705; US4870076; US4929754; US5008290 IBM Patent Data

Activity (Go SEA)

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