UCSF

ZINC32251984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 2.45 4.42 -6.84 1 5 0 55 334.803 5
Lo Low (pH 4.5-6) 2.45 6.77 -44.58 2 5 1 56 335.811 5

Activity (Go SEA)

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