UCSF

ZINC32056960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 20 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) -0.35 3.47 -92.5 4 5 2 56 284.448 4
Lo Low (pH 4.5-6) -0.35 3.4 -103.74 4 5 2 56 284.448 4
Lo Low (pH 4.5-6) -0.35 5.81 -173.4 5 5 3 57 285.456 4

Activity (Go SEA)

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