UCSF

ZINC34612405

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) 2.72 5 -1.4 0 1 0 9 142.242 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0382185A2; EP0382185B1; EP0450066A1; EP0450066B1; EP0569592A1; US5225402; US5227381; US5401740; US5436254; US5506239; US5652247; US5658926 IBM Patent Data
PUBCHEM_PATENT_ID US4948415 IBM Patent Data

Activity (Go SEA)

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