UCSF

ZINC22867146

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 30 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) 2.10 3.03 -9.86 2 6 0 65 414.546 12
Mid Mid (pH 6-8) 2.10 5.37 -45.01 3 6 1 67 415.554 12

Activity (Go SEA)

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