UCSF

ZINC23071432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 16 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) -0.30 2.78 -50.89 3 3 1 40 221.324 3
Hi High (pH 8-9.5) -0.30 2.45 -4.24 2 3 0 38 220.316 3
Lo Low (pH 4.5-6) -0.30 4.41 -121.13 4 3 2 41 222.332 3

Vendor Notes

Note Type Comments Provided By
MP 244 - 246 Enamine Building Blocks
MP 244...246 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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