UCSF

ZINC43973281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 25 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) 3.11 10.36 -51.07 2 5 1 48 342.463 6
Hi High (pH 8-9.5) 3.11 8.1 -15.07 1 5 0 47 341.455 6

Activity (Go SEA)

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