UCSF

ZINC57918175

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 24 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) 0.50 3.07 -13.63 0 7 0 56 348.394 6
Lo Low (pH 4.5-6) 0.50 5.2 -43.11 1 7 1 58 349.402 6

Activity (Go SEA)

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

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