UCSF

ZINC49478500

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 14 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) -0.32 0.74 -116.12 4 4 2 46 203.33 7
Mid Mid (pH 6-8) -0.32 -0.7 -40.68 3 4 1 41 202.322 7
Mid Mid (pH 6-8) -0.32 -0.59 -38.17 3 4 1 41 202.322 7
Mid Mid (pH 6-8) -0.32 1.67 -85.2 4 4 2 42 203.33 7
Lo Low (pH 4.5-6) -0.32 3.01 -194.93 5 4 3 47 204.338 7

Activity (Go SEA)

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