UCSF

ZINC68012706

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 16 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) 1.12 5.92 -82.75 3 4 2 38 229.368 5
Hi High (pH 8-9.5) 1.12 3.85 -39.91 2 4 1 37 228.36 5

Activity (Go SEA)

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