UCSF

ZINC31989895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 2.47 3.66 -8.83 2 4 0 48 272.348 4
Mid Mid (pH 6-8) 2.47 6.06 -38.92 3 4 1 49 273.356 4

Activity (Go SEA)

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