UCSF

ZINC42367568

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.09 7.9 -115.56 3 2 2 21 226.339 7
Mid Mid (pH 6-8) 2.09 5.81 -38.8 2 2 1 20 225.331 7

Activity (Go SEA)

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