| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (1R,2S,5S)-2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-5-propyl-cyclohexanamine (1R,2S,5S)-2-(aminomethyl)-N-(cy…
| 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) | 3.41 | 8.27 | -110.94 | 4 | 2 | 2 | 32 | 254.462 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 7.93 | -31 | 3 | 2 | 1 | 30 | 253.454 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.41 | 6.7 | -43.6 | 3 | 2 | 1 | 31 | 253.454 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
