UCSF

ZINC42012405

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 25 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) 2.73 8.56 -43.47 0 5 -1 61 352.439 2
Mid Mid (pH 6-8) 2.27 9.91 -15.63 1 5 0 58 353.447 2

Activity (Go SEA)

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