UCSF

ZINC32117242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.03 2.03 -49.41 3 5 1 65 270.349 8
Hi High (pH 8-9.5) 1.03 0.79 -9.42 2 5 0 60 269.341 8

Activity (Go SEA)

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