UCSF

ZINC38343301

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 12 Yes

Other Names:

MFCD13196366

MFCD13196531

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) 0.35 2.36 -39.72 3 2 1 31 167.276 1
Mid Mid (pH 6-8) 0.35 4.73 -24.65 3 2 1 30 167.276 1
Mid Mid (pH 6-8) 0.35 4.75 -97.69 4 2 2 32 168.284 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% )