UCSF

ZINC19487551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 1.44 3.14 -39.48 3 4 0 77 221.256 2
Hi High (pH 8-9.5) 1.44 2.82 -53.14 2 4 -1 75 220.248 2

Vendor Notes

Note Type Comments Provided By
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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