UCSF

ZINC64976590

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 24 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) 2.81 1.67 -13.23 3 7 0 104 367.814 5
Mid Mid (pH 6-8) 2.78 2.42 -46.57 2 7 1 103 366.806 5
Mid Mid (pH 6-8) 2.81 2.1 -45.48 2 7 -1 106 366.806 5

Activity (Go SEA)

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

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