UCSF

ZINC39967531

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 26 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) 3.90 8.26 -11.08 1 5 0 45 353.466 5
Mid Mid (pH 6-8) 3.90 10.48 -50.1 2 5 1 46 354.474 5

Activity (Go SEA)

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