UCSF

ZINC37826837

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 No

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) -0.04 3.46 -40.83 2 5 1 46 274.41 4
Mid Mid (pH 6-8) -0.04 4.56 -92.41 3 5 2 51 275.418 4

Activity (Go SEA)

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