UCSF

ZINC33825142

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 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) 3.89 7.83 -55.18 5 8 1 90 467.638 10
Hi High (pH 8-9.5) 3.89 5.55 -17.59 4 8 0 89 466.63 10

Activity (Go SEA)

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