UCSF

ZINC06785274

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.28 1 -43.8 2 5 1 62 413.925 7
Mid Mid (pH 6-8) 3.25 0.82 -45.14 1 5 1 58 413.925 8

Activity (Go SEA)

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