UCSF

ZINC32159829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.44 5.46 -41.85 3 3 1 46 296.749 5
Hi High (pH 8-9.5) 3.44 3.89 -6.88 2 3 0 41 295.741 5

Activity (Go SEA)

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