UCSF

ZINC45378138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 13 Yes

Other Names:

MFCD28383923

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) -0.02 3.39 -38.51 3 4 1 57 187.263 4
Hi High (pH 8-9.5) -0.02 1.18 -3.58 2 4 0 56 186.255 4
Lo Low (pH 4.5-6) -0.02 3.74 -120.99 4 4 2 58 188.271 4

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% )