UCSF

ZINC31776432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 22 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) 2.28 4.89 -50.38 0 5 -1 69 337.808 4
Mid Mid (pH 6-8) 2.28 4.82 -16.56 1 5 0 66 338.816 4

Activity (Go SEA)

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