UCSF

ZINC26513135

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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) 0.76 2.09 -37.37 3 4 1 46 228.36 4
Hi High (pH 8-9.5) 0.76 1.18 -36.82 3 4 1 49 228.36 4
Hi High (pH 8-9.5) 0.76 0.12 -6.46 2 4 0 44 227.352 4
Lo Low (pH 4.5-6) 0.76 3.48 -109.61 4 4 2 50 229.368 4

Activity (Go SEA)

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