In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 16 | Yes |
Popular Name: 2-[(6R)-4,8-diazaspiro[5.5]undecan-4-yl]-N,N-dimethyl-ethanamine 2-[(6R)-4,8-diazaspiro[5.5]undec…
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) | 0.68 | 5.06 | -95.97 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.68 | 5.76 | -108.31 | 3 | 3 | 2 | 21 | 227.396 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.68 | 2.54 | -39.96 | 2 | 3 | 1 | 23 | 226.388 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.68 | 4.48 | -101.1 | 3 | 3 | 2 | 24 | 227.396 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 7.01 | -199.02 | 4 | 3 | 3 | 25 | 228.404 | 3 | ↓ |