UCSF

ZINC42243836

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.81 4.49 -33.39 2 4 1 43 229.344 7
Hi High (pH 8-9.5) 0.81 2.15 -8.2 1 4 0 42 228.336 7

Activity (Go SEA)

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