UCSF

ZINC39295452

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 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) 5.54 12.25 -35.89 2 1 1 17 300.425 2
Mid Mid (pH 6-8) 5.54 11.1 -4.34 1 1 0 12 299.417 2

Activity (Go SEA)

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