| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 13 | Yes |
Popular Name: (1S,3R)-3-[(3R)-3-methyl-1-piperidyl]cyclopentanamine (1S,3R)-3-[(3R)-3-methyl-1-piper…
| 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) | 1.01 | 5.07 | -100.59 | 4 | 2 | 2 | 32 | 184.327 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.01 | 4.8 | -29.64 | 3 | 2 | 1 | 30 | 183.319 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.01 | 2.91 | -41.59 | 3 | 2 | 1 | 31 | 183.319 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
