UCSF

ZINC43411386

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) -0.18 0.74 -113.65 4 5 2 54 261.41 7
Mid Mid (pH 6-8) -0.18 3.1 -196.94 5 5 3 55 262.418 7
Mid Mid (pH 6-8) -0.18 3.59 -105.85 4 5 2 58 261.41 7
Mid Mid (pH 6-8) -0.18 -0.48 -33.62 3 5 1 49 260.402 7
Mid Mid (pH 6-8) -0.18 1.83 -84.24 4 5 2 50 261.41 7

Activity (Go SEA)

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