UCSF

ZINC38042942

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 14 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) -0.15 -0.82 -40.35 4 4 1 63 198.29 2
Hi High (pH 8-9.5) -0.40 -1.57 -31.02 3 4 0 63 197.282 2
Mid Mid (pH 6-8) -0.15 1.26 -96.71 5 4 2 64 199.298 2

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% )