UCSF

ZINC39385453

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 29 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) 0.12 2.25 -72.97 3 10 -1 151 420.423 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4284767 IBM Patent Data

Activity (Go SEA)

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