| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 21st, 2010 | 21 | Yes |
Popular Name: (1S)-1-(1,3-benzodioxol-5-yl)-N-methyl-N-(4-methylcyclohexyl)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) | 2.30 | 5.98 | -139.01 | 4 | 4 | 2 | 51 | 292.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 5.63 | -37.7 | 3 | 4 | 1 | 49 | 291.415 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.30 | 4.34 | -47.78 | 3 | 4 | 1 | 49 | 291.415 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
