UCSF

ZINC42450556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.53 4.18 -44.37 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 0.53 4.03 -3.24 2 3 0 38 248.37 4
Lo Low (pH 4.5-6) 0.53 6.28 -130.37 4 3 2 41 250.386 4

Activity (Go SEA)

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