UCSF

ZINC37826912

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.67 7.5 -88.8 3 4 2 41 281.444 2
Hi High (pH 8-9.5) 1.67 6.25 -42.68 2 4 1 37 280.436 2

Activity (Go SEA)

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