UCSF

ZINC36783486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.44 5.8 -130.76 4 4 2 51 278.396 5
Hi High (pH 8-9.5) 1.44 5.36 -31.68 3 4 1 49 277.388 5
Hi High (pH 8-9.5) 1.44 3.37 -47.39 3 4 1 49 277.388 5

Activity (Go SEA)

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