UCSF

ZINC16957827

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) 1.91 5.55 -43.65 0 5 -1 66 191.214 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4551419; US4604339; US5221604; US5374513; US5500336 IBM Patent Data

Activity (Go SEA)

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