UCSF

ZINC36679803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 18 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) 3.91 6.69 -35.75 4 3 1 61 249.378 5
Hi High (pH 8-9.5) 0.63 6.79 -7.07 4 3 0 61 248.37 5

Activity (Go SEA)

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