UCSF

ZINC26513462

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) -1.15 2.65 -38.81 2 6 1 63 230.288 5
Hi High (pH 8-9.5) -1.15 0.4 -12.65 1 6 0 62 229.28 5
Hi High (pH 8-9.5) -1.15 1.82 -46.66 2 6 1 66 230.288 5
Lo Low (pH 4.5-6) -1.15 4.04 -116.39 3 6 2 68 231.296 5

Activity (Go SEA)

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