UCSF

ZINC19725912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 21 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) 0.76 5.33 -102.57 3 5 2 43 293.411 4
Hi High (pH 8-9.5) 0.76 3.91 -37.93 2 5 1 38 292.403 4
Hi High (pH 8-9.5) 0.76 2.77 -43.45 2 5 1 42 292.403 4

Activity (Go SEA)

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