UCSF

ZINC71483214

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 14 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) 1.19 3.08 -12.48 2 4 0 56 192.218 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0352781A2; US4948801; US5043443; US5130316 IBM Patent Data

Activity (Go SEA)

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