UCSF

ZINC54927809

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) -0.24 0.85 -17.67 1 4 0 53 246.357 2
Lo Low (pH 4.5-6) -0.24 1.28 -42.23 2 4 1 55 247.365 2

Activity (Go SEA)

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

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