UCSF

ZINC38338238

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 20 Yes

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) -1.35 3.42 -137.2 6 4 2 74 274.364 5
Hi High (pH 8-9.5) -1.35 2.85 -6.18 4 4 0 71 272.348 5
Mid Mid (pH 6-8) -1.35 3.18 -46.33 5 4 1 72 273.356 5

Vendor Notes

Note Type Comments Provided By
Purity ¡Ý98.0% APIChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )