UCSF

ZINC52860631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 20 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) 0.74 5.53 -7.39 3 6 0 80 293.758 4
Lo Low (pH 4.5-6) 0.74 4.53 -35.48 4 6 1 81 294.766 4

Activity (Go SEA)

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

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