UCSF

ZINC25400124

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 30 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) 4.09 11.62 -14.41 1 4 0 49 413.546 3
Lo Low (pH 4.5-6) 4.09 14.01 -63.31 2 4 1 50 414.554 3

Activity (Go SEA)

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