UCSF

ZINC53664601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 21 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) 2.85 9.88 -46.53 2 4 1 46 285.415 5
Lo Low (pH 4.5-6) 2.85 10.34 -80.61 3 4 2 47 286.423 5
Lo Low (pH 4.5-6) 2.85 10.35 -87.37 3 4 2 47 286.423 5

Activity (Go SEA)

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

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