UCSF

ZINC04157717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 26 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) 5.02 -0.24 -10.47 1 4 0 38 363.848 5
Mid Mid (pH 6-8) 5.02 -0.06 -29.53 2 4 1 39 364.856 5

Activity (Go SEA)

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