UCSF

ZINC19865836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 16 No

Other Names:

MFCD11135313

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) 1.26 3.76 -6.59 3 4 0 62 219.288 2
Mid Mid (pH 6-8) 1.26 4.19 -35.45 4 4 1 63 220.296 2
Mid Mid (pH 6-8) 1.26 4.41 -37.41 4 4 1 63 220.296 2

Vendor Notes

Note Type Comments Provided By
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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