UCSF

ZINC01687129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

CAS Number: 4471-05-0

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) 3.57 -0.33 -2.95 1 1 0 20 178.275 5

Vendor Notes

Note Type Comments Provided By
BP 172 / 50 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0946501A1; EP0951282A1; EP1000619A2; WO1998027976A1; WO1998028264A1 IBM Patent Data

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