UCSF

ZINC67755522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) -0.28 3.38 -15.52 2 8 0 99 328.376 2
Lo Low (pH 4.5-6) -0.28 3.83 -44.05 3 8 1 100 329.384 2

Activity (Go SEA)

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

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