UCSF

ZINC62834476

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 20 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) 0.02 -0.24 -37.88 4 8 -1 124 270.276 3
Lo Low (pH 4.5-6) 0.02 -0.24 -9.96 5 8 0 125 271.284 3

Activity (Go SEA)

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

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