UCSF

ZINC34332153

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 14 Yes

Other Names:

MFCD14236947

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) -0.50 1.64 -84.69 3 4 2 34 201.314 2
Hi High (pH 8-9.5) -0.50 -2.1 -3.43 1 4 0 28 199.298 2
Mid Mid (pH 6-8) -0.50 0.18 -30.84 2 4 1 29 200.306 2
Mid Mid (pH 6-8) -0.50 1.55 -98.23 3 4 2 34 201.314 2
Mid Mid (pH 6-8) -0.50 -0.73 -41.19 2 4 1 32 200.306 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% )