UCSF

ZINC39975061

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 25 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) 3.60 6.91 -10.36 0 4 0 41 396.965 5
Mid Mid (pH 6-8) 3.60 9.12 -48.18 1 4 1 42 397.973 5

Activity (Go SEA)

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