| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 15th, 2012 | 30 | Yes |
Popular Name: 6-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-pyrrolo[3,2-b]pyridine-2-carboxamide 6-(4-benzylpiperazine-1-carbonyl…
| 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) | 1.24 | 7.16 | -13.37 | 0 | 7 | 0 | 62 | 405.502 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 9.81 | -101.28 | 2 | 7 | 2 | 64 | 407.518 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 9.36 | -52.82 | 1 | 7 | 1 | 63 | 406.51 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 7.54 | -40.64 | 1 | 7 | 1 | 63 | 406.51 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.