UCSF

ZINC37718755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 16 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) -0.93 1.44 -8.74 1 6 0 85 219.2 3
Mid Mid (pH 6-8) -0.47 -1.22 -35.77 0 6 -1 88 218.192 3
Lo Low (pH 4.5-6) -0.93 1.91 -38.68 2 6 1 86 220.208 3

Activity (Go SEA)

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

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