UCSF

ZINC54668060

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 18 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) 3.60 7.62 -25.32 3 3 1 45 250.41 2
Hi High (pH 8-9.5) 3.60 7.48 -6.2 2 3 0 44 249.402 2

Activity (Go SEA)

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