UCSF

ZINC19437876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 No

Other Names:

MFCD09933459

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) 0.01 0.31 -32.3 4 5 1 70 236.295 4
Ref Reference (pH 7) -0.12 0.46 -7.81 3 5 0 71 235.287 3
Lo Low (pH 4.5-6) -0.12 2.51 -44.66 4 5 1 72 236.295 3
Lo Low (pH 4.5-6) -0.12 2.73 -40.48 4 5 1 72 236.295 3
Lo Low (pH 4.5-6) 0.01 2.58 -89.83 5 5 2 72 237.303 4

Vendor Notes

Note Type Comments Provided By
MP 155 - 157 Enamine Building Blocks
MP 155...157 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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