UCSF

ZINC35189267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

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) -1.54 4.94 -54.91 5 10 0 165 457.483 2
Hi High (pH 8-9.5) -1.54 4.43 -144.17 3 10 -2 167 455.467 2
Hi High (pH 8-9.5) -1.54 3.43 -69.07 4 10 -1 164 456.475 2
Hi High (pH 8-9.5) -0.81 3.84 -137.41 4 10 0 164 456.475 3
Hi High (pH 8-9.5) -0.81 4.83 -100.07 3 10 0 167 455.467 3
Hi High (pH 8-9.5) -0.81 6.25 -93.01 4 10 0 168 456.475 3
Hi High (pH 8-9.5) -1.54 5.94 -117.73 4 10 -1 168 456.475 2
Mid Mid (pH 6-8) -0.81 5.27 -72.38 5 10 0 165 457.483 3
Mid Mid (pH 6-8) -1.54 4.39 -59.68 6 10 1 163 458.491 2

Activity (Go SEA)

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