UCSF

ZINC20623978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 25 No

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) -0.78 0.23 -12.45 2 8 0 91 346.387 5
Ref Reference (pH 7) -0.78 0.23 -12.45 2 8 0 91 346.387 5
Mid Mid (pH 6-8) -0.78 2.49 -46.83 3 8 1 92 347.395 5
Mid Mid (pH 6-8) -0.78 2.5 -46.98 3 8 1 92 347.395 5

Activity (Go SEA)

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