UCSF

ZINC39912688

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.57 8.63 -12.77 2 7 0 88 449.551 8
Hi High (pH 8-9.5) 4.34 9.39 -46.43 0 7 -1 87 448.543 8
Hi High (pH 8-9.5) 4.34 8.92 -54.44 0 7 -1 87 448.543 8
Hi High (pH 8-9.5) 4.57 9.45 -40.9 1 7 -1 91 448.543 8

Activity (Go SEA)

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