UCSF

ZINC40766841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 34 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) 5.81 9.85 -53.03 2 4 -1 81 471.702 1
Lo Low (pH 4.5-6) 5.81 7.87 -6.89 3 4 0 78 472.71 1

Activity (Go SEA)

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