UCSF

ZINC67755517

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 26 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) 2.42 8.74 -41.02 2 5 1 59 342.426 3
Mid Mid (pH 6-8) 2.42 8.27 -12.66 1 5 0 58 341.418 3
Lo Low (pH 4.5-6) 2.42 9.21 -87.83 3 5 2 60 343.434 3

Activity (Go SEA)

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

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