UCSF

ZINC22416975

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 18 Yes

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) 1.97 2.25 -15.89 2 5 0 75 270.354 5
Hi High (pH 8-9.5) 1.97 2.32 -44.25 1 5 -1 77 269.346 5

Activity (Go SEA)

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