UCSF

ZINC39339837

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) 1.00 9.27 -49.42 0 4 -1 60 351.256 3
Hi High (pH 8-9.5) 1.00 9.8 -118 0 4 -2 60 350.248 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4347371; US4410542 IBM Patent Data

Activity (Go SEA)

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