UCSF

ZINC32188977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 Yes

CAS Number: 7556-97-0

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 2.02 -10.74 1 3 0 46 146.149 0
Mid Mid (pH 6-8) 1.03 2.9 -44.14 0 3 -1 49 145.141 0

Vendor Notes

Note Type Comments Provided By
MP 216 - 218 Enamine Building Blocks
MP 216...218 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1992012635A1; WO1992013092A1 IBM Patent Data

Activity (Go SEA)

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