| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (1R,2S)-2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-ethyl-cycloheptanamine (1R,2S)-2-[[cyclopropylmethyl(et…
| 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) | 4.03 | 9.91 | -106.08 | 3 | 2 | 2 | 21 | 254.462 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.03 | 9.19 | -28.5 | 2 | 2 | 1 | 16 | 253.454 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.03 | 8.18 | -36.16 | 2 | 2 | 1 | 20 | 253.454 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
