UCSF

ZINC42206779

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) -0.51 -0.88 -46.58 3 6 1 67 260.358 9
Hi High (pH 8-9.5) -0.51 -2.24 -9.16 2 6 0 63 259.35 9
Lo Low (pH 4.5-6) -0.51 0.02 -41.77 3 6 1 64 260.358 9
Lo Low (pH 4.5-6) -0.51 1.38 -122.31 4 6 2 69 261.366 9

Activity (Go SEA)

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