UCSF

ZINC44964042

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 22 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) 0.66 -0.51 -52.77 4 5 1 74 304.366 0
Hi High (pH 8-9.5) 0.66 -2.36 -12.33 3 5 0 73 303.358 0

Activity (Go SEA)

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