UCSF

ZINC43393831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.46 8.33 -128.19 4 2 2 32 262.441 4
Hi High (pH 8-9.5) 3.46 7.94 -30.19 3 2 1 30 261.433 4
Mid Mid (pH 6-8) 3.46 5.83 -44.05 3 2 1 31 261.433 4

Activity (Go SEA)

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