UCSF

ZINC39385282

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 34 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) 7.77 18.17 -43.85 2 2 1 26 450.646 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4329367 IBM Patent Data

Activity (Go SEA)

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