UCSF

ZINC34988869

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.97 8.67 -108.37 2 4 2 35 278.396 5
Hi High (pH 8-9.5) 1.97 6.42 -41.47 1 4 1 34 277.388 5
Mid Mid (pH 6-8) 1.97 6.27 -40.41 1 4 1 34 277.388 5

Activity (Go SEA)

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