UCSF

ZINC54603140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 17 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) 2.37 8.59 -46.31 1 2 1 22 250.749 2
Mid Mid (pH 6-8) 2.37 6.45 -5.88 0 2 0 20 249.741 2

Activity (Go SEA)

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