UCSF

ZINC20569584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 30 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) 5.13 8.63 -52 1 6 -1 90 456.956 5
Hi High (pH 8-9.5) 5.20 7.72 -111.79 0 6 -2 97 455.948 5
Mid Mid (pH 6-8) 5.13 8.62 -16.54 2 6 0 88 457.964 5

Activity (Go SEA)

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