UCSF

ZINC52578898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 24 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) -0.74 -3.67 -45.36 3 10 -1 149 326.296 5
Lo Low (pH 4.5-6) -1.20 -1.73 -18.12 4 10 0 146 327.304 5

Activity (Go SEA)

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

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