UCSF

ZINC22007362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 No

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) 1.55 5.06 -38.81 3 4 1 57 201.29 3
Hi High (pH 8-9.5) 1.55 3.59 -4.32 2 4 0 56 200.282 3
Mid Mid (pH 6-8) 1.55 3.41 -44.27 3 4 1 57 201.29 3

Activity (Go SEA)

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

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