UCSF

ZINC43894452

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.61 8 -107.93 3 3 2 34 235.375 5
Hi High (pH 8-9.5) 1.61 5.84 -2.56 1 3 0 28 233.359 5
Hi High (pH 8-9.5) 1.61 6.24 -34.58 2 3 1 33 234.367 5
Mid Mid (pH 6-8) 1.61 6.65 -89.45 3 3 2 34 235.375 5
Mid Mid (pH 6-8) 1.61 7.47 -28.74 2 3 1 29 234.367 5

Activity (Go SEA)

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