UCSF

ZINC43211286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 19 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) 1.25 4.34 -53.6 4 4 1 70 262.377 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0370498A2; EP1034793A1; US4997834 IBM Patent Data

Activity (Go SEA)

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