UCSF

ZINC32266027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.34 6.46 -7.11 2 2 0 40 270.372 2
Hi High (pH 8-9.5) 5.34 7.22 -46.67 1 2 -1 43 269.364 2
Hi High (pH 8-9.5) 5.34 7.22 -47.89 1 2 -1 43 269.364 2

Activity (Go SEA)

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