UCSF

ZINC71532961

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 16 Yes

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) 2.37 3.41 -34.93 2 3 1 29 227.372 3
Hi High (pH 8-9.5) 2.37 1.98 -1.52 1 3 0 24 226.364 3
Lo Low (pH 4.5-6) 2.37 5.79 -97.51 3 3 2 30 228.38 3

Activity (Go SEA)

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

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