UCSF

ZINC20548878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 1.85 1.91 -43.45 3 6 -1 99 297.747 4
Mid Mid (pH 6-8) 1.85 1.85 -12.42 4 6 0 97 298.755 4
Mid Mid (pH 6-8) 1.85 2.4 -39.27 4 6 0 100 298.755 4

Activity (Go SEA)

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