UCSF

ZINC40778893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 1.46 3.52 -11.6 1 6 0 62 317.389 2
Mid Mid (pH 6-8) 1.46 5.74 -50.75 2 6 1 63 318.397 2

Activity (Go SEA)

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