UCSF

ZINC20266788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 1.45 3.13 -44.13 3 3 1 40 239.314 4
Hi High (pH 8-9.5) 1.45 2.8 -4.61 2 3 0 38 238.306 4
Mid Mid (pH 6-8) 1.45 5.04 -38.7 3 3 1 40 239.314 4

Vendor Notes

Note Type Comments Provided By
MP 240 - 242 Enamine Building Blocks
MP 240...242 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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