UCSF

ZINC25493644

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 5.12 10.71 -12.74 1 3 0 50 328.367 3
Hi High (pH 8-9.5) 5.12 11.5 -44.65 0 3 -1 53 327.359 3

Activity (Go SEA)

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