UCSF

ZINC23550187

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 20 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) 3.99 8.93 -38.15 1 3 1 21 290.818 2
Mid Mid (pH 6-8) 3.99 9.2 -94.69 2 3 2 22 291.826 2
Mid Mid (pH 6-8) 3.99 6.63 -5.38 0 3 0 19 289.81 2

Activity (Go SEA)

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