UCSF

ZINC13411759

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 No

Popular Name: (4R,6R)-4-(2-carboxyethyl)-3,5,6,7-tetrahydroimidazo[5,4-c]pyridine-4,6-dicarboxylic (4R,6R)-4-(2-carboxyethyl)-3,5,6…

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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) -2.93 4.91 -161.55 3 9 -2 162 281.224 5 ↓
Hi High (pH 8-9.5) -2.93 4.5 -195.24 2 9 -3 161 280.216 5 ↓
Mid Mid (pH 6-8) -2.93 5.9 -105.22 4 9 -1 167 282.232 5 ↓
Mid Mid (pH 6-8) -2.93 5.44 -106.27 3 9 -2 166 281.224 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.