| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2011 | 16 | Yes |
Popular Name: (1S)-N'-butyl-N',1-dicyclopropyl-N-ethyl-ethane-1,2-diamine (1S)-N'-butyl-N',1-dicyclopropyl…
| 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) | 3.16 | 9.29 | -105.93 | 3 | 2 | 2 | 21 | 226.408 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 7.7 | -29.5 | 2 | 2 | 1 | 20 | 225.4 | 9 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 8.66 | -31.91 | 2 | 2 | 1 | 16 | 225.4 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
