UCSF

ZINC61990063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2011 16 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) 0.64 3.32 -31.6 3 3 1 34 224.372 3
Hi High (pH 8-9.5) 0.64 1.61 -42.67 3 3 1 34 224.372 3
Mid Mid (pH 6-8) 0.64 5.36 -94.79 4 3 2 35 225.38 3
Mid Mid (pH 6-8) 0.64 3.47 -119.59 4 3 2 35 225.38 3
Mid Mid (pH 6-8) 0.64 2.97 -26.76 3 3 1 34 224.372 3
Lo Low (pH 4.5-6) 0.64 5.87 -217.66 5 3 3 37 226.388 3
Lo Low (pH 4.5-6) 0.64 4.13 -102.73 4 3 2 35 225.38 3

Activity (Go SEA)

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