UCSF

ZINC32628286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) -0.91 -1.89 -44.23 5 4 1 72 184.263 3
Mid Mid (pH 6-8) -0.91 -1.66 -40.05 5 4 1 72 184.263 3
Mid Mid (pH 6-8) -0.91 -0.51 -108.14 6 4 2 76 185.271 3

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% )