UCSF

ZINC31961361

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.44 -1.19 -54.39 5 7 1 94 294.379 7
Hi High (pH 8-9.5) -0.44 -1.58 -13.9 4 7 0 93 293.371 7
Mid Mid (pH 6-8) -0.44 1.14 -98.54 6 7 2 95 295.387 7
Mid Mid (pH 6-8) -0.44 -0.73 -101 6 7 2 95 295.387 7
Lo Low (pH 4.5-6) -0.44 1.61 -166.49 7 7 3 97 296.395 7

Activity (Go SEA)

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