UCSF

ZINC67119559

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2011 21 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) 3.21 8.62 -40.97 2 5 1 51 352.256 6
Mid Mid (pH 6-8) 3.21 6.07 -5.15 1 5 0 50 351.248 6

Activity (Go SEA)

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

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