UCSF

ZINC44236548

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 9 No

Other Names:

MFCD28348101

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) -2.68 -4.64 -113.88 6 4 2 89 154.235 4
Hi High (pH 8-9.5) -2.68 -5.42 -11.23 4 4 0 86 152.219 4
Mid Mid (pH 6-8) -2.68 -5.03 -56.81 5 4 1 88 153.227 4

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% )