UCSF

ZINC20266044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 1.77 5.34 -90.88 4 4 2 48 273.38 4
Mid Mid (pH 6-8) 1.77 2.95 -47.56 3 4 1 47 272.372 4

Activity (Go SEA)

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