UCSF

ZINC43284727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 2.30 1.71 -44.75 4 3 1 51 348.33 5
Hi High (pH 8-9.5) 2.30 3.33 -31.42 4 3 1 51 348.33 5
Hi High (pH 8-9.5) 2.30 1.39 -4.07 3 3 0 49 347.322 5
Lo Low (pH 4.5-6) 2.30 3.63 -110.83 5 3 2 52 349.338 5

Activity (Go SEA)

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