UCSF

ZINC34838850

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 8.36 18.51 -26.92 2 5 1 57 464.674 12
Mid Mid (pH 6-8) 8.36 18.22 -14.33 1 5 0 56 463.666 12
Mid Mid (pH 6-8) 8.36 18.12 -36.87 2 5 1 60 464.674 12
Lo Low (pH 4.5-6) 8.36 18.68 -88.17 3 5 2 61 465.682 12

Activity (Go SEA)

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