UCSF

ZINC20310155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 31 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) 1.90 6.83 -75.2 2 8 0 107 425.485 9
Hi High (pH 8-9.5) 1.90 5.64 -133.76 0 8 -2 109 423.469 9
Mid Mid (pH 6-8) 1.90 7.85 -131.05 1 8 -1 110 424.477 9

Activity (Go SEA)

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