UCSF

ZINC43253278

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.67 6.21 -44.42 3 2 1 31 287.88 4
Hi High (pH 8-9.5) 3.66 7.54 -32.06 3 2 1 30 287.88 4
Hi High (pH 8-9.5) 3.67 5.71 -0.86 2 2 0 29 286.872 4
Lo Low (pH 4.5-6) 3.67 7.86 -119.19 4 2 2 32 288.888 4

Activity (Go SEA)

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