UCSF

ZINC39559714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 23 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) 0.89 3.11 -14.57 2 7 0 110 320.297 2
Hi High (pH 8-9.5) 0.89 4.11 -60.57 1 7 -1 113 319.289 2

Activity (Go SEA)

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