UCSF

ZINC62083221

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 16 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) -0.62 6.97 -82.57 3 4 1 61 229.344 7
Mid Mid (pH 6-8) -0.62 5.69 -52.63 2 4 0 57 228.336 7
Mid Mid (pH 6-8) -0.62 4.52 -32.9 2 4 0 60 228.336 7

Activity (Go SEA)

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