In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2014 | 12 | Yes |
Popular Name: 1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLIC ACID 1H-PYRROLO[3,2-B]PYRIDINE-6-CARB…
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CAS Number: 112766-32-2
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) | 0.44 | 2.51 | -53.81 | 1 | 4 | 0 | 67 | 162.148 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 2.91 | -87.34 | 2 | 4 | 1 | 68 | 163.156 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.