UCSF

ZINC20840822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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
Hi High (pH 8-9.5) 3.47 4.93 -86.61 6 4 2 57 340.6 5
Mid Mid (pH 6-8) 3.47 4.99 -130.75 6 4 2 57 340.6 5
Mid Mid (pH 6-8) 3.47 5.71 -160.55 7 4 3 62 341.608 5
Mid Mid (pH 6-8) 3.47 6.92 -300 8 4 4 66 342.616 5

Activity (Go SEA)

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