UCSF

ZINC66066292

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 18 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) -0.44 -2.77 -53.27 3 7 -1 120 285.33 4
Lo Low (pH 4.5-6) -0.44 -2.91 -83.51 4 7 0 122 286.338 4

Activity (Go SEA)

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

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