UCSF

ZINC36960407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 13 Yes

Other Names:

MFCD11214951

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) -1.03 4.65 -59.86 0 4 -1 60 184.215 3

Vendor Notes

Note Type Comments Provided By
MP 130 - 132 Enamine Building Blocks
MP 130...132 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0876353A1; EP0882024A1; US5914332; WO1997021683A1; WO1997021685A1 IBM Patent Data

Activity (Go SEA)

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