UCSF

ZINC25338297

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 23 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) -0.25 4.99 -68.8 1 7 0 77 327.425 7
Lo Low (pH 4.5-6) -0.25 6.21 -97.67 3 7 2 76 329.441 7

Activity (Go SEA)

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