UCSF

ZINC24364111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 32 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) 3.52 11 -10.92 0 6 0 54 431.584 5
Mid Mid (pH 6-8) 3.52 13.33 -56.49 1 6 1 55 432.592 5

Activity (Go SEA)

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