UCSF

ZINC38343296

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 13 Yes

Other Names:

MFCD13196360

MFCD13196539

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) 1.37 3.12 -42.57 3 2 1 31 183.319 2
Hi High (pH 8-9.5) 1.37 4.23 -29.73 3 2 1 30 183.319 2
Mid Mid (pH 6-8) 1.37 4.56 -101.06 4 2 2 32 184.327 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% )