UCSF

ZINC31934381

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 2.68 6.45 -46.58 2 4 1 37 338.273 3
Hi High (pH 8-9.5) 2.68 5.04 -5.98 1 4 0 33 337.265 3
Lo Low (pH 4.5-6) 2.68 6.9 -82.82 3 4 2 38 339.281 3

Activity (Go SEA)

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