UCSF

ZINC40747218

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 32 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) 5.77 14.77 -55.39 0 4 -1 60 440.648 4
Lo Low (pH 4.5-6) 5.77 12.77 -10.28 1 4 0 58 441.656 4

Activity (Go SEA)

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