UCSF

ZINC52379351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 0.75 4.76 -90.87 3 4 2 37 239.363 5
Mid Mid (pH 6-8) 0.75 2.4 -35.45 2 4 1 36 238.355 5
Mid Mid (pH 6-8) 0.75 4.84 -105.32 3 4 2 37 239.363 5

Activity (Go SEA)

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

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