UCSF

ZINC33811766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 23 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) 3.32 5.3 -7.17 0 4 0 41 413.362 2
Mid Mid (pH 6-8) 3.32 7.63 -45.54 1 4 1 42 414.37 2

Activity (Go SEA)

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