UCSF

ZINC32024903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 1.46 1.61 -47.33 4 3 1 51 235.351 3
Hi High (pH 8-9.5) 1.46 3.94 -133 4 3 1 55 235.351 3
Hi High (pH 8-9.5) 1.46 2.75 -32.82 4 3 1 51 235.351 3

Activity (Go SEA)

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