UCSF

ZINC16735233

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 0.52 3.46 -67.09 2 10 -1 138 468.486 9
Mid Mid (pH 6-8) 0.97 4.74 -68.09 4 10 1 137 470.502 8
Mid Mid (pH 6-8) -0.06 5.76 -69.96 3 10 1 134 470.502 9
Mid Mid (pH 6-8) 0.52 5.8 -81.94 3 10 0 140 469.494 9

Activity (Go SEA)

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