UCSF

ZINC36872531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.54 6.2 -27.98 4 3 1 56 260.405 3
Mid Mid (pH 6-8) 1.54 6.51 -115.48 5 3 2 58 261.413 3
Mid Mid (pH 6-8) 1.55 5.89 -41.62 4 3 1 56 260.405 3

Activity (Go SEA)

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

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