UCSF

ZINC43898278

Substance Information

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

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) 1.94 3.18 -39.77 2 4 1 38 277.388 3
Hi High (pH 8-9.5) 1.94 2.97 -3.79 1 4 0 34 276.38 3
Mid Mid (pH 6-8) 1.94 4.52 -39.45 2 4 1 35 277.388 3
Lo Low (pH 4.5-6) 1.94 5.34 -120.47 3 4 2 40 278.396 3

Activity (Go SEA)

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