UCSF

ZINC42455969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.62 3.05 -106.41 5 4 2 61 217.357 7
Hi High (pH 8-9.5) 0.62 2.68 -37.72 4 4 1 60 216.349 7
Hi High (pH 8-9.5) 0.62 1.08 -47.77 4 4 1 60 216.349 7

Activity (Go SEA)

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