UCSF

ZINC41998873

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -2.10 -0.77 -19.74 2 7 0 92 209.161 2
Mid Mid (pH 6-8) -1.91 -3.38 -53.61 1 7 -1 98 208.153 2

Activity (Go SEA)

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

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