UCSF

ZINC25369893

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 19 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) 1.51 1.66 -20.15 2 5 0 75 288.344 6
Hi High (pH 8-9.5) 1.51 1.23 -47.41 1 5 -1 77 287.336 6

Activity (Go SEA)

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