UCSF

ZINC42458678

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 0.77 3.41 -119.25 4 3 2 41 190.331 7
Hi High (pH 8-9.5) 0.77 3.02 -28.88 3 3 1 40 189.323 7
Hi High (pH 8-9.5) 0.77 1.14 -45.99 3 3 1 40 189.323 7

Activity (Go SEA)

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