| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: (1S,2R)-N1-(cyclobutylmethyl)-1-(2-furyl)-N1-methyl-butane-1,2-diamine (1S,2R)-N1-(cyclobutylmethyl)-1-…
| 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) | 1.97 | 4.94 | -40.8 | 3 | 3 | 1 | 44 | 237.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 6.36 | -30.98 | 3 | 3 | 1 | 44 | 237.367 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 6.63 | -112.17 | 4 | 3 | 2 | 45 | 238.375 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
