UCSF

ZINC40757663

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 21 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) -0.12 1.59 -11.76 2 7 0 89 287.323 5
Lo Low (pH 4.5-6) -0.12 2 -42.73 3 7 1 90 288.331 5

Activity (Go SEA)

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