UCSF

ZINC71495369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 11 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) 0.28 2.54 -45.26 0 5 -1 58 148.149 1
Lo Low (pH 4.5-6) 0.28 2.62 -9.01 1 5 0 59 149.157 1

Activity (Go SEA)

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

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