UCSF

ZINC24886887

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 21 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) 2.36 6.25 -40.78 2 4 1 35 293.431 8
Lo Low (pH 4.5-6) 2.36 5.24 -39.54 2 4 1 38 293.431 8
Lo Low (pH 4.5-6) 2.36 7.54 -111.39 3 4 2 40 294.439 8

Activity (Go SEA)

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