UCSF

ZINC32159666

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 22 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) 2.72 8.49 -36.91 2 3 1 29 296.438 6
Lo Low (pH 4.5-6) 2.72 8.92 -87.67 3 3 2 31 297.446 6
Lo Low (pH 4.5-6) 2.72 9.9 -135.76 3 3 2 34 297.446 6

Activity (Go SEA)

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