UCSF

ZINC43894540

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) 2.63 8.75 -111.35 3 3 2 34 277.456 6
Hi High (pH 8-9.5) 2.63 6.85 -33.32 2 3 1 33 276.448 6
Mid Mid (pH 6-8) 2.63 7.57 -86.44 3 3 2 34 277.456 6

Activity (Go SEA)

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