UCSF

ZINC42461324

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.36 3.74 -88.54 4 3 2 35 229.412 5
Hi High (pH 8-9.5) 1.36 1.61 -41.89 3 3 1 34 228.404 5

Activity (Go SEA)

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