| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N'-(cyclobutylmethyl)-N-ethyl-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) | 3.02 | 7.76 | -39.63 | 2 | 4 | 1 | 35 | 291.415 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 8.81 | -129.96 | 3 | 4 | 2 | 40 | 292.423 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.02 | 6.88 | -40.24 | 2 | 4 | 1 | 38 | 291.415 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
