UCSF

ZINC05729087

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 17 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) 2.55 5.77 -13.14 1 3 0 38 224.263 2
Mid Mid (pH 6-8) 2.55 6.21 -26.45 2 3 1 39 225.271 2

Activity (Go SEA)

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