UCSF

ZINC31996438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 9 Yes

Other Names:

MFCD11640862

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) -0.30 0.23 -41.15 3 2 1 31 127.211 1
Lo Low (pH 4.5-6) -0.30 2.7 -106.14 4 2 2 32 128.219 1
Lo Low (pH 4.5-6) -0.30 2.4 -28.53 3 2 1 30 127.211 1

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% )