UCSF

ZINC39779895

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.84 4.62 -32 2 3 1 33 234.367 2
Hi High (pH 8-9.5) 1.84 5.9 -30.79 2 3 1 29 234.367 2
Mid Mid (pH 6-8) 1.84 4.65 -79.41 3 3 2 34 235.375 2

Activity (Go SEA)

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