UCSF

ZINC20392268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 1.80 5.61 -51.17 0 3 -1 49 191.206 3
Lo Low (pH 4.5-6) 1.80 4.48 -10.31 1 3 0 47 192.214 3

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 - 92 Enamine Building Blocks
MP 90...92 Enamine Building Blocks
purity 95 Enamine Building Blocks
PUBCHEM_PATENT_ID EP0736018A1; EP0736018B1; US6025375 IBM Patent Data

Activity (Go SEA)

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