UCSF

ZINC18271256

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 24 No

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) 0.03 0.49 -13.3 2 7 0 82 328.372 2
Ref Reference (pH 7) 0.03 0.44 -13.24 2 7 0 82 328.372 2
Hi High (pH 8-9.5) 0.22 -2.07 -50.89 1 7 -1 88 327.364 2
Hi High (pH 8-9.5) 0.22 -2.08 -50.96 1 7 -1 88 327.364 2
Mid Mid (pH 6-8) 0.03 2.92 -45.61 3 7 1 83 329.38 2
Lo Low (pH 4.5-6) 0.22 0.37 -37.54 2 7 0 89 328.372 2
Lo Low (pH 4.5-6) 0.22 0.37 -37.6 2 7 0 89 328.372 2

Activity (Go SEA)

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