In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 20 | Yes |
Popular Name: 3-(cyclohexoxy)-N-[(1R)-1-[(3S)-1-methyl-3-piperidyl]ethyl]propan-1-amine 3-(cyclohexoxy)-N-[(1R)-1-[(3S)-…
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) | 3.39 | 9.13 | -97.87 | 3 | 3 | 2 | 30 | 284.488 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 8.03 | -33.22 | 2 | 3 | 1 | 26 | 283.48 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.