| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2009 | 17 | Yes |
Popular Name: 4-amino-N-[(1S)-1-(4-pyridyl)ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-(4-pyridyl)eth…
| 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) | 0.37 | 1.36 | -11.41 | 4 | 5 | 0 | 84 | 230.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | -0.5 | -53.16 | 4 | 5 | 1 | 82 | 231.279 | 3 | ↓ |
| Lo Low (pH 4.5-6) | -0.08 | -0.04 | -93.57 | 5 | 5 | 2 | 83 | 232.287 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
