UCSF

ZINC39286482

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 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) 8.24 10.9 -4.58 2 2 0 40 374.609 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4306097; US4391827 IBM Patent Data

Activity (Go SEA)

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