UCSF

ZINC39952354

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 2.94 6.94 -75.66 2 4 0 60 276.38 5
Hi High (pH 8-9.5) 2.94 5.66 -48.6 1 4 -1 55 275.372 5
Mid Mid (pH 6-8) 2.94 9.19 -148.91 3 4 1 61 277.388 5

Activity (Go SEA)

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