UCSF

ZINC32121739

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) -0.07 4.21 -65.81 3 6 1 80 276.345 3
Hi High (pH 8-9.5) -0.07 3.89 -12.23 2 6 0 78 275.337 3

Activity (Go SEA)

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