In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 16 | Yes |
Popular Name: N-[(1R)-1-[(3R)-1-ethyl-3-piperidyl]ethyl]cyclopentanamine N-[(1R)-1-[(3R)-1-ethyl-3-piperi…
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) | 3.01 | 8.33 | -94.13 | 3 | 2 | 2 | 21 | 226.408 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.01 | 7.46 | -30.73 | 2 | 2 | 1 | 16 | 225.4 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.