UCSF

ZINC39965281

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 2.28 7.31 -39.15 2 5 1 50 346.426 6
Mid Mid (pH 6-8) 2.28 7.21 -41.89 2 5 1 50 346.426 6
Mid Mid (pH 6-8) 2.28 5.03 -9.73 1 5 0 49 345.418 6

Activity (Go SEA)

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