UCSF

ZINC15013289

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 27 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) 5.25 5.98 -11.51 2 6 0 84 404.875 5
Hi High (pH 8-9.5) 5.70 5.14 -106.61 0 6 -2 90 402.859 5
Hi High (pH 8-9.5) 5.25 6.9 -50.46 1 6 -1 87 403.867 5
Mid Mid (pH 6-8) 4.76 6.08 -43.17 1 6 -1 83 403.867 6

Activity (Go SEA)

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