UCSF

ZINC02526253

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 2.69 2.36 -6.28 1 2 0 29 210.126 3

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
Warnings TOXIC Matrix Scientific
PUBCHEM_PATENT_ID WO2000018723A1; WO2000018724A1; WO2000069826A1; WO2000069832A1; WO2000069833A1; WO2000069834A1 IBM Patent Data

Activity (Go SEA)

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