UCSF

ZINC42464219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.73 3.21 -8.65 3 5 0 71 249.314 4
Lo Low (pH 4.5-6) 0.73 3.05 -28.45 4 5 1 73 250.322 4
Lo Low (pH 4.5-6) 0.73 3.54 -23.83 4 5 0 72 250.322 4

Activity (Go SEA)

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