UCSF

ZINC71791831

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 20 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) 3.08 6.74 -54.81 1 5 -1 86 288.666 2
Hi High (pH 8-9.5) 3.54 4.11 -124.99 0 5 -2 89 287.658 2

Activity (Go SEA)

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

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