UCSF

ZINC34891913

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.94 4.75 -81.49 4 9 0 132 465.535 8
Hi High (pH 8-9.5) 3.94 4.35 -55.61 3 9 -1 131 464.527 8
Lo Low (pH 4.5-6) 3.94 5.29 -61.79 5 9 1 130 466.543 8

Activity (Go SEA)

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