UCSF

ZINC37081836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.92 5.75 -122.21 4 2 2 32 226.339 5
Mid Mid (pH 6-8) 1.92 4.59 -46.62 3 2 1 31 225.331 5
Mid Mid (pH 6-8) 1.92 5.89 -30.68 3 2 1 30 225.331 5

Activity (Go SEA)

Rings

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