UCSF

ZINC33764959

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 6.21 13.52 -20.86 1 6 0 75 499.08 9
Hi High (pH 8-9.5) 6.39 12.45 -49.79 0 6 -1 82 498.072 9

Activity (Go SEA)

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