| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: (2S)-N2-(cyclobutylmethyl)-N2-methyl-3-phenyl-propane-1,2-diamine (2S)-N2-(cyclobutylmethyl)-N2-me…
| 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) | 1.98 | 7.27 | -124.79 | 4 | 2 | 2 | 32 | 234.387 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.98 | 5.69 | -1.87 | 2 | 2 | 0 | 29 | 232.371 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 5.93 | -46.35 | 3 | 2 | 1 | 31 | 233.379 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.98 | 6.92 | -30.77 | 3 | 2 | 1 | 30 | 233.379 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
