UCSF

ZINC22042071

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 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) 5.09 12.3 -110.1 2 2 2 9 294.527 5
Mid Mid (pH 6-8) 5.09 10.08 -30.59 1 2 1 8 293.519 5
Mid Mid (pH 6-8) 5.09 10.38 -32.48 1 2 1 8 293.519 5

Activity (Go SEA)

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