UCSF

ZINC31934407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 1.24 5.37 -47.85 2 5 1 50 294.382 3
Hi High (pH 8-9.5) 1.24 3.95 -11.94 1 5 0 45 293.374 3
Lo Low (pH 4.5-6) 1.24 5.77 -84.05 3 5 2 51 295.39 3

Activity (Go SEA)

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