| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 25 | Yes |
Popular Name: N-(2-dimethylaminoethyl)-1-isopropyl-2,5-dimethyl-N-(4-pyridylmethyl)pyrrole-3-carboxamide N-(2-dimethylaminoethyl)-1-isopr…
| 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) | 1.14 | 10.76 | -48.54 | 1 | 5 | 1 | 43 | 343.495 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 8.27 | -10.34 | 0 | 5 | 0 | 41 | 342.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 10.52 | -95.4 | 2 | 5 | 2 | 44 | 344.503 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
