UCSF

ZINC19260366

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 1.14 8.39 -70.14 3 3 1 45 270.331 3
Hi High (pH 8-9.5) 1.14 8.09 -9.65 2 3 0 44 269.323 3
Mid Mid (pH 6-8) 1.14 8.82 -123.99 4 3 2 47 271.339 3

Activity (Go SEA)

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