UCSF

ZINC35553268

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 33 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) 6.37 14.87 -40.58 1 5 1 37 472.767 10
Hi High (pH 8-9.5) 6.37 12.74 -5.39 0 5 0 35 471.759 10
Lo Low (pH 4.5-6) 6.37 17.1 -128.86 2 5 2 38 473.775 10

Activity (Go SEA)

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