UCSF

ZINC06625852

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 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) 2.21 7.39 -44.34 2 4 1 57 304.42 2
Mid Mid (pH 6-8) 2.21 4.96 -6.85 1 4 0 56 303.412 2

Activity (Go SEA)

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