UCSF

ZINC21968685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 3.10 7.67 -39.89 2 1 1 17 190.31 2

Vendor Notes

Note Type Comments Provided By
MP 271 - 273 Enamine Building Blocks
MP 271...273 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0599203A1; EP1045832A2; US5455273; WO1999029662A2 IBM Patent Data

Activity (Go SEA)

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