UCSF

ZINC35406892

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 12 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) -0.22 5.23 -33.94 2 3 0 57 191.658 5
Hi High (pH 8-9.5) -0.22 4.18 -40.77 1 3 -1 52 190.65 5

Activity (Go SEA)

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