UCSF

ZINC67981886

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 1.27 6.81 -80.29 3 5 2 48 328.46 4
Lo Low (pH 4.5-6) 1.27 8.87 -98.64 3 5 2 48 328.46 4

Activity (Go SEA)

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

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