UCSF

ZINC26712221

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 25 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) 1.07 2.37 -10.77 1 8 0 85 350.419 6
Mid Mid (pH 6-8) 1.07 4.76 -48.02 2 8 1 86 351.427 6
Mid Mid (pH 6-8) 1.07 4.75 -46.08 2 8 1 86 351.427 6
Lo Low (pH 4.5-6) 1.07 7.14 -119.53 3 8 2 87 352.435 6

Activity (Go SEA)

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