UCSF

ZINC41514065

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.20 3.8 -46.85 3 9 1 106 485.557 8
Hi High (pH 8-9.5) 2.20 2.07 -48.7 1 9 -1 108 483.541 8
Mid Mid (pH 6-8) 2.20 1.49 -13.72 2 9 0 105 484.549 8
Mid Mid (pH 6-8) 2.20 3.83 -44.77 3 9 1 106 485.557 8
Mid Mid (pH 6-8) 2.20 4.37 -32.71 2 9 0 109 484.549 8

Activity (Go SEA)

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