UCSF

ZINC00333418

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 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) 3.94 1.84 -8.06 0 1 0 17 230.694 3

Vendor Notes

Note Type Comments Provided By
MP 131 - 135 Enamine Building Blocks
MP 132 - 134 Enamine Building Blocks
MP 132...134 Enamine Building Blocks
MP 135 - 137 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
PUBCHEM_PATENT_ID EP0012850A1; EP0097822A1; EP0388654A2; EP0388690A1; EP0587670A1; EP0772606A1; US4266066; US4344954; US4503059; US4668700; US4870095; US4898880; US4916150; US4988725; US5688789; US5969015; US6017910; WO1992019621A1; WO1996003392A1 IBM Patent Data

Activity (Go SEA)

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