UCSF

ZINC05086889

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 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) 4.21 10.5 -17.47 1 6 0 73 414.49 5
Lo Low (pH 4.5-6) 4.21 10.77 -45.01 2 6 1 74 415.498 5

Activity (Go SEA)

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