UCSF

ZINC62611617

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 2.15 6.32 -45.48 2 3 1 37 225.356 3
Hi High (pH 8-9.5) 2.15 5.17 -6.89 1 3 0 32 224.348 3

Activity (Go SEA)

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

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