UCSF

ZINC43435004

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 1.03 -40.71 3 6 1 76 289.396 9
Hi High (pH 8-9.5) 0.83 -0.12 -7.55 2 6 0 71 288.388 9
Mid Mid (pH 6-8) 0.83 2.19 -39.09 3 6 1 72 289.396 9
Mid Mid (pH 6-8) 0.83 1.58 -34.01 2 6 0 78 288.388 9
Mid Mid (pH 6-8) 0.83 3.9 -45.56 3 6 1 80 289.396 9
Lo Low (pH 4.5-6) 0.83 3.32 -105.34 4 6 2 77 290.404 9

Activity (Go SEA)

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