UCSF

ZINC39374031

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 15 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) -1.58 -0.39 -34.02 6 5 0 114 210.233 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4065572; US4153715; US4156734; US4160835; US4170654; US4206216; US4271187 IBM Patent Data

Activity (Go SEA)

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