UCSF

ZINC39259901

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 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) 1.99 2.88 -4.77 3 3 0 47 166.224 2
Lo Low (pH 4.5-6) 1.99 2.68 -47.75 4 3 1 49 167.232 2

Activity (Go SEA)

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