UCSF

ZINC02578920

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 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) 1.85 -0.71 -2.35 1 1 0 20 116.204 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0226984A1; EP0928183A2; US4957730; US6007798; US6162420 IBM Patent Data
PUBCHEM_PATENT_ID US4935426 IBM Patent Data

Activity (Go SEA)

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