| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 19 | Yes |
Popular Name: (1S,2R)-N2-(cyclobutylmethyl)-1-(4-ethylphenyl)-N2-methyl-propane-1,2-diamine (1S,2R)-N2-(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) | 1.75 | 8.54 | -31.82 | 3 | 2 | 1 | 30 | 261.433 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 6.76 | -1.35 | 2 | 2 | 0 | 29 | 260.425 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.75 | 7.17 | -39.59 | 3 | 2 | 1 | 31 | 261.433 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.75 | 8.87 | -115.39 | 4 | 2 | 2 | 32 | 262.441 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
