UCSF

ZINC24988427

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 23 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) 1.94 1.24 -22.01 3 6 0 106 352.437 6
Hi High (pH 8-9.5) 1.94 1.92 -47.63 2 6 -1 104 351.429 6
Hi High (pH 8-9.5) 1.94 2 -94.77 1 6 -2 106 350.421 6
Mid Mid (pH 6-8) 1.94 1.32 -54.66 2 6 -1 108 351.429 6

Activity (Go SEA)

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