UCSF

ZINC72188045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2012 16 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) -0.45 5.94 -39.15 3 3 0 68 215.252 2
Mid Mid (pH 6-8) -0.45 5.71 -47.32 2 3 -1 66 214.244 2

Activity (Go SEA)

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

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