UCSF

ZINC19446779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 21 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) 2.14 5.95 -38.78 1 6 1 51 295.455 5
Mid Mid (pH 6-8) 2.14 5.42 -41.46 1 6 1 51 295.455 5
Mid Mid (pH 6-8) 2.14 3.48 -9.76 0 6 0 50 294.447 5

Activity (Go SEA)

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

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