UCSF

ZINC43435000

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.83 1.06 -40.58 3 6 1 76 289.396 9
Hi High (pH 8-9.5) 0.83 0.02 -8.21 2 6 0 71 288.388 9
Mid Mid (pH 6-8) 0.83 2.33 -39.17 3 6 1 72 289.396 9
Mid Mid (pH 6-8) 0.83 1.59 -27.82 2 6 0 78 288.388 9
Mid Mid (pH 6-8) 0.83 3.92 -38.11 3 6 1 80 289.396 9
Lo Low (pH 4.5-6) 0.83 3.39 -104.38 4 6 2 77 290.404 9

Activity (Go SEA)

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