| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: (1R,2R)-N1-(cyclobutylmethyl)-N1-methyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1R,2R)-N1-(cyclobutylmethyl)-N1…
| 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) | 2.98 | 6.07 | -38.12 | 3 | 2 | 1 | 31 | 267.462 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 5.62 | -1.61 | 2 | 2 | 0 | 29 | 266.454 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 8.38 | -112.69 | 4 | 2 | 2 | 32 | 268.47 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
