UCSF

ZINC43965944

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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 4.76 -37.97 2 4 1 38 277.388 4
Hi High (pH 8-9.5) 1.94 3.89 -4.07 1 4 0 34 276.38 4
Mid Mid (pH 6-8) 1.94 5.61 -35.41 2 4 1 35 277.388 4
Lo Low (pH 4.5-6) 1.94 6.71 -118.88 3 4 2 40 278.396 4

Activity (Go SEA)

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