In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | Yes |
Popular Name: (8S,9R)-N8-ethyl-N9-methyl-N9-tetrahydropyran-4-yl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9R)-N8-ethyl-N9-methyl-N9-te…
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) | 1.40 | 5.37 | -113.46 | 3 | 5 | 2 | 49 | 300.443 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 1.96 | -3.32 | 1 | 5 | 0 | 43 | 298.427 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 4.34 | -30.9 | 2 | 5 | 1 | 44 | 299.435 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 3.44 | -35.53 | 2 | 5 | 1 | 48 | 299.435 | 4 | ↓ |