UCSF

ZINC17106128

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 12 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -3.02 -3.51 -71.41 5 7 1 118 188.192 0
Mid Mid (pH 6-8) -3.52 -3.33 -24.64 4 7 0 117 187.184 0
Mid Mid (pH 6-8) -3.52 -2.86 -50.71 5 7 1 118 188.192 0
Lo Low (pH 4.5-6) -3.02 -3.57 -122.96 6 7 2 116 189.2 0

Activity (Go SEA)

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

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