UCSF

ZINC42423597

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 2.38 7.31 -45.56 1 4 1 40 300.806 10
Mid Mid (pH 6-8) 2.38 5.31 -10.2 0 4 0 39 299.798 10

Activity (Go SEA)

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