UCSF

ZINC47629047

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 18 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) 0.89 2.74 -47.78 4 5 1 77 270.74 5
Hi High (pH 8-9.5) 0.89 0.52 -13.91 3 5 0 75 269.732 5

Activity (Go SEA)

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