UCSF

ZINC04871000

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 30 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) 1.28 -2.51 -50.22 3 8 1 104 413.45 7
Mid Mid (pH 6-8) 0.69 -2.66 -57.79 2 8 1 101 413.45 7

Activity (Go SEA)

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