| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 20 | Yes |
Popular Name: N-(2-butoxyethyl)-N'-cyclopropyl-N'-(3-thienylmethyl)ethane-1,2-diamine N-(2-butoxyethyl)-N'-cyclopropyl…
| 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) | 2.55 | 7.78 | -32.55 | 2 | 3 | 1 | 26 | 297.488 | 12 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 5.56 | -2.6 | 1 | 3 | 0 | 24 | 296.48 | 12 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 9.14 | -115.79 | 3 | 3 | 2 | 30 | 298.496 | 12 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 6.9 | -38.49 | 2 | 3 | 1 | 29 | 297.488 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
