UCSF

ZINC47367413

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.37 4.25 -52.18 0 5 -1 69 295.384 5
Mid Mid (pH 6-8) 1.37 4.2 -13.09 1 5 0 66 296.392 5

Activity (Go SEA)

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