UCSF

ZINC59201888

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 20 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) 3.19 5.98 -40.82 2 3 1 29 295.834 3
Hi High (pH 8-9.5) 3.19 4.62 -3.75 1 3 0 24 294.826 3

Activity (Go SEA)

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