In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 20 | No |
Popular Name: (4S,6R)-4-(2-carboxyethyl)-3,5,6,7-tetrahydroimidazo[5,4-c]pyridine-4,6-dicarboxylic (4S,6R)-4-(2-carboxyethyl)-3,5,6…
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 | 5.07 | -157.48 | 3 | 9 | -2 | 162 | 281.224 | 5 | ↓ |
Hi High (pH 8-9.5) | -2.93 | 4.67 | -191.73 | 2 | 9 | -3 | 161 | 280.216 | 5 | ↓ |
Mid Mid (pH 6-8) | -2.93 | 5.52 | -113.87 | 3 | 9 | -2 | 166 | 281.224 | 5 | ↓ |
Mid Mid (pH 6-8) | -2.93 | 5.94 | -95.43 | 4 | 9 | -1 | 167 | 282.232 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.