UCSF

ZINC02513181

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 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) -0.03 -1.18 -46.61 4 4 1 66 198.242 4

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92 - 94 Enamine Building Blocks
MP 92...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0654534A2; EP0654534A3; EP0654534B1; EP0924193A1; EP0924194A2; EP0939134A1; US5629200; US5811293; US6114582 IBM Patent Data

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