UCSF

ZINC32160346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) -0.22 -1.48 -51.61 4 6 1 79 297.375 7
Hi High (pH 8-9.5) -0.22 -2.79 -12.59 3 6 0 74 296.367 7
Lo Low (pH 4.5-6) -0.22 -0.46 -47.8 4 6 1 75 297.375 7
Lo Low (pH 4.5-6) -0.22 0.79 -129.77 5 6 2 80 298.383 7

Activity (Go SEA)

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