UCSF

ZINC39973899

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 20 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) 3.54 5.05 -9.88 1 4 0 55 291.372 4
Hi High (pH 8-9.5) 3.54 5.1 -52.36 0 4 -1 57 290.364 4

Activity (Go SEA)

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