UCSF

ZINC47998724

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 20 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) -0.52 -0.38 -10.54 2 7 0 84 298.368 5
Mid Mid (pH 6-8) -0.33 -0.98 -46.64 1 7 -1 90 297.36 5
Lo Low (pH 4.5-6) -0.52 1.8 -42.07 3 7 1 85 299.376 5

Activity (Go SEA)

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