UCSF

ZINC52838386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 22 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) 3.77 7.88 -38.08 2 4 1 48 334.49 5
Mid Mid (pH 6-8) 3.77 7.45 -11.45 1 4 0 46 333.482 5
Mid Mid (pH 6-8) 3.77 8.84 -41.38 2 4 1 51 334.49 5

Activity (Go SEA)

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

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