UCSF

ZINC57289299

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 24 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) 1.25 1.82 -23.89 3 7 0 112 345.38 4
Hi High (pH 8-9.5) 1.25 2.57 -54.1 2 7 -1 115 344.372 4
Lo Low (pH 4.5-6) 1.25 2.31 -52.22 4 7 1 113 346.388 4

Activity (Go SEA)

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

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