UCSF

ZINC06779979

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 25 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) 0.41 -8.51 -18 4 7 0 108 347.367 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5449612 IBM Patent Data

Activity (Go SEA)

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