UCSF

ZINC39723852

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 27 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) 5.81 11.92 -16.8 1 4 0 55 456.39 5
Mid Mid (pH 6-8) 5.87 10.26 -49.65 0 4 -1 61 455.382 5

Activity (Go SEA)

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