UCSF

ZINC42456004

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) 0.71 3.32 -105.88 5 4 2 61 217.357 7
Hi High (pH 8-9.5) 0.71 2.94 -36.91 4 4 1 60 216.349 7
Hi High (pH 8-9.5) 0.71 1.35 -47.64 4 4 1 60 216.349 7

Activity (Go SEA)

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