UCSF

ZINC52336468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 3.44 8.1 -58.81 1 4 -1 69 280.388 4
Lo Low (pH 4.5-6) 3.44 6.79 -10.48 2 4 0 66 281.396 4

Activity (Go SEA)

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

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