UCSF

ZINC69487552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 No

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) 4.58 8.08 -12.25 1 3 0 45 342.851 2
Lo Low (pH 4.5-6) 4.58 9.05 -43.47 2 3 1 47 343.859 2
Lo Low (pH 4.5-6) 4.58 8.35 -43 2 3 1 47 343.859 2

Activity (Go SEA)

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

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