UCSF

ZINC19262129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.70 4.05 -49.99 3 4 1 55 250.318 4
Hi High (pH 8-9.5) 0.70 3.72 -5.85 2 4 0 54 249.31 4

Activity (Go SEA)

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