UCSF

ZINC36305171

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -0.84 -1.92 -44.35 3 4 1 49 187.263 1
Hi High (pH 8-9.5) -0.84 -2.57 -3.21 2 4 0 48 186.255 1
Lo Low (pH 4.5-6) -0.84 0.1 -121.29 4 4 2 51 188.271 1

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% )