UCSF

ZINC48839869

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 17 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) 0.29 4.37 -48.24 2 5 1 67 240.327 6
Hi High (pH 8-9.5) 0.29 2.11 -16.65 1 5 0 65 239.319 6

Activity (Go SEA)

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