UCSF

ZINC22357362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 28 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) 4.13 5.7 -48.55 1 8 -1 128 397.388 5
Mid Mid (pH 6-8) 4.13 6.71 -104.93 0 8 -2 131 396.38 5
Mid Mid (pH 6-8) 3.52 5.99 -47.67 1 8 -1 128 397.388 5
Mid Mid (pH 6-8) 3.52 6.77 -107.08 0 8 -2 131 396.38 5
Lo Low (pH 4.5-6) 3.06 7.39 -19.7 2 8 0 125 398.396 5

Activity (Go SEA)

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

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