UCSF

ZINC39262670

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 9 No

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) 1.76 4.74 -7.63 0 2 0 26 126.155 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0909656A2; EP1038887A1; US4141990; US4163003; US6063539; US6100009; US6143480 IBM Patent Data

Activity (Go SEA)

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