UCSF

ZINC66147905

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 32 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) 5.21 11.63 -12.2 1 5 0 54 427.548 3
Lo Low (pH 4.5-6) 5.21 12 -34.55 2 5 1 56 428.556 3

Activity (Go SEA)

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

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