UCSF

ZINC13127511

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 17 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) -0.88 4.07 -26.78 3 8 0 108 234.219 3
Hi High (pH 8-9.5) -0.10 1.64 -58.14 2 8 -1 114 233.211 3

Activity (Go SEA)

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

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