UCSF

ZINC39284962

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) 1.86 4.43 -36.05 2 2 1 26 178.255 1
Hi High (pH 8-9.5) 1.86 3.21 -2.97 1 2 0 21 177.247 1

Vendor Notes

Note Type Comments Provided By
MP 214 - 216 Enamine Building Blocks
MP 214...216 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0382185A2; EP0382185B1; US5225402; US5436254; US5652247; WO1994001113A1 IBM Patent Data

Activity (Go SEA)

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