UCSF

ZINC20128309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.07 7.21 -85.47 3 4 2 34 293.455 8
Mid Mid (pH 6-8) 2.07 7.08 -105.04 3 4 2 34 293.455 8
Mid Mid (pH 6-8) 2.07 4.74 -38.27 2 4 1 32 292.447 8

Activity (Go SEA)

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

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