UCSF

ZINC32211233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 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) -2.28 -0.25 -59.63 4 5 0 97 188.227 3
Hi High (pH 8-9.5) -2.28 -0.59 -42.88 3 5 -1 95 187.219 3

Vendor Notes

Note Type Comments Provided By
MP 226 - 228 Enamine Building Blocks
MP 226...228 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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