UCSF

ZINC41584142

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 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) 5.62 11.02 -52.18 2 5 1 64 447.349 7
Hi High (pH 8-9.5) 5.62 8.67 -10.49 1 5 0 63 446.341 7
Hi High (pH 8-9.5) 5.62 11.78 -36.77 1 5 0 67 446.341 7

Activity (Go SEA)

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