UCSF

ZINC37689478

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 12 Yes

Other Names:

MFCD12801735

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) -0.11 0.05 -35.84 3 3 1 40 171.264 1
Lo Low (pH 4.5-6) -0.11 2.11 -104.48 4 3 2 41 172.272 1
Lo Low (pH 4.5-6) -0.11 0.76 -26.48 3 3 1 37 171.264 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% )