UCSF

ZINC71527906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.87 9.5 -17.46 1 6 0 71 367.409 3
Mid Mid (pH 6-8) 2.94 7.67 -56.89 0 6 -1 77 366.401 3

Activity (Go SEA)

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

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