UCSF

ZINC59496619

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 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) 2.56 2.4 -42.62 3 4 1 49 340.658 5
Hi High (pH 8-9.5) 2.56 1.08 -5.85 2 4 0 45 339.65 5

Activity (Go SEA)

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