In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 20 | Yes |
Popular Name: (8S,9R)-N8,N9-dimethyl-N9-tetrahydropyran-4-yl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9R)-N8,N9-dimethyl-N9-tetrah…
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) | 1.02 | 4.54 | -114.87 | 3 | 5 | 2 | 49 | 286.416 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.02 | 1.03 | -3.55 | 1 | 5 | 0 | 43 | 284.4 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 3.43 | -31.47 | 2 | 5 | 1 | 44 | 285.408 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.02 | 2.57 | -36.85 | 2 | 5 | 1 | 48 | 285.408 | 3 | ↓ |