UCSF

ZINC26885494

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 21 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) 2.70 4.51 -43.39 2 5 1 63 332.877 5
Hi High (pH 8-9.5) 2.70 4.11 -25.31 1 5 0 66 331.869 5
Hi High (pH 8-9.5) 2.70 2.29 -9.32 1 5 0 62 331.869 5

Activity (Go SEA)

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