| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-(cyclobutylmethyl)-N'-methyl-ethane-1,2-diamine (1S)-1-(1,3-benzodioxol-5-yl)-N'…
| 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) | 0.39 | 5.81 | -39.63 | 3 | 4 | 1 | 49 | 263.361 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 4.23 | -48 | 3 | 4 | 1 | 49 | 263.361 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.39 | 3.46 | -4.86 | 2 | 4 | 0 | 48 | 262.353 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.39 | 6.21 | -139.08 | 4 | 4 | 2 | 51 | 264.369 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
