UCSF

ZINC72190646

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 10 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) 1.26 1.95 -20.35 1 2 0 37 145.108 1
Mid Mid (pH 6-8) 1.26 1.54 -38.37 0 2 -1 36 144.1 1
Mid Mid (pH 6-8) 1.26 0.77 -6.59 1 2 0 33 145.108 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.