UCSF

ZINC16857812

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2008 17 No

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) 0.39 2.58 -12.4 2 5 0 71 231.255 2
Lo Low (pH 4.5-6) 0.39 2.86 -40.3 3 5 1 72 232.263 2

Activity (Go SEA)

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

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