UCSF

ZINC69860911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 1.70 5.66 -105.69 3 3 2 30 228.38 2
Mid Mid (pH 6-8) 1.70 3.26 -38.72 2 3 1 29 227.372 2
Mid Mid (pH 6-8) 1.70 4.65 -35.75 2 3 1 26 227.372 2

Activity (Go SEA)

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

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