UCSF

ZINC43699923

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -2.10 3.31 -43.89 3 4 0 71 172.228 3
Mid Mid (pH 6-8) -2.10 1.74 -32.74 3 4 0 71 172.228 3
Mid Mid (pH 6-8) -2.10 3.65 -79.42 4 4 1 72 173.236 3

Vendor Notes

Note Type Comments Provided By
MP 154 - 156 Enamine Building Blocks
MP 154...156 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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