UCSF

ZINC36974751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 Yes

Other Names:

MFCD11549951

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) -1.50 2.32 -106.04 0 7 -2 109 249.226 2
Lo Low (pH 4.5-6) -1.95 4.15 -58.23 1 7 -1 106 250.234 2

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% )