UCSF

ZINC71150452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 20 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) 1.73 5.64 -91.61 3 4 2 34 299.846 6
Hi High (pH 8-9.5) 1.73 4.29 -35.41 2 4 1 29 298.838 6
Hi High (pH 8-9.5) 1.73 3.29 -39.32 2 4 1 32 298.838 6

Activity (Go SEA)

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