UCSF

ZINC40752687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 33 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) 6.54 14.7 -53.06 0 3 -1 57 453.687 1
Lo Low (pH 4.5-6) 6.54 12.75 -7.78 1 3 0 54 454.695 1

Activity (Go SEA)

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