UCSF

ZINC19855405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 Yes

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) 4.22 9.65 -24.62 1 6 0 59 412.921 7
Mid Mid (pH 6-8) 4.22 11.91 -62.23 2 6 1 61 413.929 7
Mid Mid (pH 6-8) 4.22 10.06 -36.78 2 6 1 61 413.929 7
Lo Low (pH 4.5-6) 4.22 12.32 -115.78 3 6 2 62 414.937 7

Activity (Go SEA)

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