UCSF

ZINC49575402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 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) 3.33 10.96 -47.11 1 3 1 22 292.834 5
Hi High (pH 8-9.5) 3.33 8.74 -6.59 0 3 0 21 291.826 5
Lo Low (pH 4.5-6) 3.33 11.37 -96.98 2 3 2 24 293.842 5

Activity (Go SEA)

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

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