UCSF

ZINC39286469

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 19 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) 4.39 4.99 -5.05 2 2 0 40 262.393 3

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% )