UCSF

ZINC40166196

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 14 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) 0.80 3.76 -44.57 1 4 -1 70 195.194 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0053408A1; US4417053; US5252643; US5260430; US5367008 IBM Patent Data

Activity (Go SEA)

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