UCSF

ZINC23071149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) 1.68 6.16 -102.82 4 3 2 47 237.391 2
Hi High (pH 8-9.5) 1.68 5.73 -58.83 3 3 1 45 236.383 2

Activity (Go SEA)

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