UCSF

ZINC67966592

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 19 Yes

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) -0.29 2.91 -90.02 3 6 2 59 273.377 5
Hi High (pH 8-9.5) -0.29 -1.87 -7.21 1 6 0 56 271.361 5
Mid Mid (pH 6-8) -0.29 0.52 -40.11 2 6 1 57 272.369 5
Mid Mid (pH 6-8) -0.29 0.5 -38.39 2 6 1 57 272.369 5

Activity (Go SEA)

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

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