UCSF

ZINC04829024

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 16 Yes

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) -0.32 3.99 -31.33 3 4 0 77 243.69 5
Hi High (pH 8-9.5) -0.32 2.72 -42.37 2 4 -1 72 242.682 5

Activity (Go SEA)

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