In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 21 | Yes |
Popular Name: [4-(8-azaspiro[4.5]decan-8-yl)-1-isopropyl-4-piperidyl]methanamine [4-(8-azaspiro[4.5]decan-8-yl)-1…
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) | 2.20 | 5.83 | -28.32 | 3 | 3 | 1 | 34 | 294.507 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 8.05 | -96.57 | 4 | 3 | 2 | 35 | 295.515 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 6.29 | -125 | 4 | 3 | 2 | 35 | 295.515 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 6.67 | -106.52 | 4 | 3 | 2 | 35 | 295.515 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.20 | 8.49 | -224.69 | 5 | 3 | 3 | 37 | 296.523 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.