UCSF

ZINC41168362

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 1.56 3.96 -36.32 2 2 1 20 171.308 5
Mid Mid (pH 6-8) 1.56 6.16 -109.17 3 2 2 21 172.316 5
Mid Mid (pH 6-8) 1.56 4.82 -30.62 2 2 1 16 171.308 5

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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