| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | Yes |
Popular Name: N-[[(3S)-3-[[cyclopropylmethyl(ethyl)amino]methyl]tetrahydropyran-3-yl]methyl]propan-1-amine N-[[(3S)-3-[[cyclopropylmethyl(e…
| 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) | 2.36 | 8.32 | -106.8 | 3 | 3 | 2 | 30 | 270.461 | 9 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 7.2 | -31.23 | 2 | 3 | 1 | 26 | 269.453 | 9 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 6.59 | -37.32 | 2 | 3 | 1 | 29 | 269.453 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
