UCSF

ZINC25639438

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2009 32 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) 3.38 7.46 -51.36 4 7 1 92 478.4 8
Mid Mid (pH 6-8) 3.38 5.49 -12.06 3 7 0 91 477.392 8

Activity (Go SEA)

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