UCSF

ZINC43894937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 Yes

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) 3.32 9.36 -118.35 3 3 2 30 278.44 8
Mid Mid (pH 6-8) 3.32 7.85 -30.66 2 3 1 26 277.432 8
Mid Mid (pH 6-8) 3.32 7.27 -34.65 2 3 1 29 277.432 8

Activity (Go SEA)

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