UCSF

ZINC42462752

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) -0.40 -3.55 -10.46 1 5 0 67 249.332 1
Lo Low (pH 4.5-6) -0.40 -1.61 -41.53 2 5 1 68 250.34 1

Activity (Go SEA)

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