UCSF

ZINC59355690

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 29 No

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) 0.27 3.33 -72.7 4 10 -1 161 432.463 5
Hi High (pH 8-9.5) 0.27 4.32 -120.49 3 10 -2 164 431.455 5

Activity (Go SEA)

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