UCSF

ZINC43700286

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 15 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) -2.75 2.93 -72.86 4 5 1 75 214.289 4
Hi High (pH 8-9.5) -2.75 0.75 -33.33 3 5 0 74 213.281 4
Hi High (pH 8-9.5) -2.75 0.33 -43.57 2 5 -1 73 212.273 4

Activity (Go SEA)

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