UCSF

ZINC21952146

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 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) 0.17 1.92 -50.85 2 5 1 57 248.372 2
Hi High (pH 8-9.5) 0.17 0.51 -8.45 1 5 0 53 247.364 2

Activity (Go SEA)

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