UCSF

ZINC22009264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 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) 1.90 3.94 -10.71 2 3 0 60 212.252 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0591280A1; EP0591280B1; EP0603432A1; EP0603432B1; EP0674621A1; US5464864; US5616603; US5618947; US5618948; US5637611; US5650426; US5827871; US5917054; US5962501; WO1994014772A1 IBM Patent Data

Activity (Go SEA)

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