UCSF

ZINC54897685

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 20 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) 0.44 7.04 -86.06 4 4 2 48 296.484 3
Mid Mid (pH 6-8) 0.44 6.71 -38.38 3 4 1 47 295.476 3
Lo Low (pH 4.5-6) 0.44 7.36 -165 5 4 3 49 297.492 3

Activity (Go SEA)

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

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