UCSF

ZINC44994575

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 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) -0.22 -0.12 -16.68 3 6 0 87 266.326 5
Hi High (pH 8-9.5) 0.24 -1.39 -54.79 3 6 0 95 266.326 5
Hi High (pH 8-9.5) 0.24 -2.74 -52.67 2 6 -1 90 265.318 5
Mid Mid (pH 6-8) -0.22 1.25 -60.86 4 6 1 91 267.334 5

Activity (Go SEA)

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

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