UCSF

ZINC31919313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) -0.77 0.96 -19.43 3 6 0 85 317.267 4
Lo Low (pH 4.5-6) -0.77 1.25 -71.2 4 6 1 86 318.275 4

Activity (Go SEA)

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