UCSF

ZINC13526473

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 9 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) -0.82 -7.64 -8.11 3 4 0 70 134.131 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0443312A2; EP0443312B1; US4713383; US4897345; US5013737 IBM Patent Data
PUBCHEM_PATENT_ID WO1989005817A1; WO1991010671A1; WO2000075236A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1999051619A1 IBM Patent Data

Activity (Go SEA)

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