UCSF

ZINC13493677

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 18 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) 2.45 4.77 -54.33 2 5 -1 81 255.338 7
Lo Low (pH 4.5-6) 2.45 3.65 -16.6 3 5 0 78 256.346 7

Vendor Notes

Note Type Comments Provided By
MP 138 - 140 Enamine Building Blocks
MP 138...140 Enamine Building Blocks
ALOGPS_SOLUBILITY 5.74e-01 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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