UCSF

ZINC54991839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) 4.37 11.19 -42.96 1 2 1 8 374.346 5
Hi High (pH 8-9.5) 4.37 11.22 -37.24 1 2 1 8 374.346 5

Activity (Go SEA)

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