UCSF

ZINC00426027

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.92 5.56 -10.25 1 4 0 58 289.718 1
Hi High (pH 8-9.5) 2.92 6.29 -50.68 0 4 -1 60 288.71 1

Activity (Go SEA)

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