UCSF

ZINC23583891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.38 5.23 -3.73 0 2 0 12 225.719 3
Lo Low (pH 4.5-6) 2.38 7.2 -36.05 1 2 1 14 226.727 3

Activity (Go SEA)

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