UCSF

ZINC31972468

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.37 4.79 -50.39 3 6 -1 108 304.351 6
Hi High (pH 8-9.5) 1.37 5.23 -61.39 4 6 0 109 305.359 6
Mid Mid (pH 6-8) 1.37 2.81 -14.65 4 6 0 105 305.359 6
Mid Mid (pH 6-8) 1.37 4.81 -89.49 2 6 -2 106 303.343 6

Activity (Go SEA)

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