| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 18 | Yes |
Popular Name: (2S,3S)-N2-(cyclobutylmethyl)-N2-methyl-3-phenyl-butane-1,2-diamine (2S,3S)-N2-(cyclobutylmethyl)-N2…
| 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) | 2.78 | 7.66 | -127.4 | 4 | 2 | 2 | 32 | 248.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 5.52 | -1.17 | 2 | 2 | 0 | 29 | 246.398 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 8.07 | -28.78 | 3 | 2 | 1 | 30 | 247.406 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.78 | 5.88 | -43.77 | 3 | 2 | 1 | 31 | 247.406 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
