UCSF

ZINC19881157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 Yes

Other Names:

MFCD11139324

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) 1.18 3.37 -33.12 2 3 1 26 201.334 5
Lo Low (pH 4.5-6) 1.18 4.73 -98.01 3 3 2 30 202.342 5
Lo Low (pH 4.5-6) 1.18 2.48 -35.17 2 3 1 29 201.334 5

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% )