UCSF

ZINC12468714

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 16 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) 1.88 8.67 -12.97 0 4 0 43 212.256 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4918074 IBM Patent Data

Activity (Go SEA)

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