UCSF

ZINC39311134

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 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) 3.27 11.37 -51.1 0 8 -1 117 367.337 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4181740 IBM Patent Data

Activity (Go SEA)

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