| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 15 | Yes |
Popular Name: (1S)-N-(cyclobutylmethyl)-N-methyl-1-(3-thienyl)ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-N-meth…
| 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) | 1.36 | 4.01 | -46.66 | 3 | 2 | 1 | 31 | 225.381 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 3.67 | -1.78 | 2 | 2 | 0 | 29 | 224.373 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 5.9 | -116.86 | 4 | 2 | 2 | 32 | 226.389 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.36 | 6.21 | -30.2 | 3 | 2 | 1 | 30 | 225.381 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
