UCSF

ZINC05045130

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 26 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) 2.11 7.41 -61.2 0 6 -1 83 354.382 7
Mid Mid (pH 6-8) 1.53 7.37 -18.37 0 6 0 77 355.39 7
Mid Mid (pH 6-8) 2.56 6.36 -29.27 1 6 0 80 355.39 6

Activity (Go SEA)

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