UCSF

ZINC35553186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 28 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) 3.58 11.86 -41.75 1 5 1 37 400.616 5
Hi High (pH 8-9.5) 3.58 9.4 -6.77 0 5 0 35 399.608 5
Lo Low (pH 4.5-6) 3.58 14.11 -123.92 2 5 2 38 401.624 5

Activity (Go SEA)

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