UCSF

ZINC39967534

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 24 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) 3.87 8.94 -9.1 1 4 0 36 323.44 4
Mid Mid (pH 6-8) 3.87 11.17 -47.58 2 4 1 37 324.448 4

Activity (Go SEA)

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