UCSF

ZINC32048536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) -0.20 4.37 -89.84 3 5 2 45 270.421 5
Hi High (pH 8-9.5) -0.20 0.67 -9.07 1 5 0 39 268.405 5
Mid Mid (pH 6-8) -0.20 2.98 -38.46 2 5 1 40 269.413 5

Activity (Go SEA)

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