UCSF

ZINC65164139

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 19 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) 2.25 6.94 -46.33 3 5 1 62 277.735 1
Mid Mid (pH 6-8) 2.25 6.46 -15.69 2 5 0 61 276.727 1
Mid Mid (pH 6-8) 2.25 6.46 -12.2 2 5 0 61 276.727 1

Activity (Go SEA)

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

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