UCSF

ZINC43975948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.46 4.47 -98.71 3 4 2 40 248.411 10
Hi High (pH 8-9.5) 1.46 2.73 -1.58 1 4 0 34 246.395 10
Mid Mid (pH 6-8) 1.46 3.48 -26.09 2 4 1 35 247.403 10
Mid Mid (pH 6-8) 1.46 3.77 -35.4 2 4 1 38 247.403 10

Activity (Go SEA)

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