UCSF

ZINC22010172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 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) -1.22 -1.33 -103.32 2 8 -2 147 393.398 4
Hi High (pH 8-9.5) -1.22 -0.71 -191.93 1 8 -3 149 392.39 4

Activity (Go SEA)

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