UCSF

ZINC20142164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 15 Yes

Other Names:

MFCD11161450

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) 1.45 3.15 -39.66 2 3 1 29 215.361 6
Lo Low (pH 4.5-6) 1.45 5.41 -103.57 3 3 2 30 216.369 6

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% )