In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | Yes |
Popular Name: (8S,9S)-N9-(cyclohexylmethyl)-N8,N9-dimethyl-1,4-dioxaspiro[4.5]decane-8,9-diamine (8S,9S)-N9-(cyclohexylmethyl)-N8…
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) | 2.94 | 6.52 | -31.59 | 2 | 4 | 1 | 35 | 297.463 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 4.4 | -2.47 | 1 | 4 | 0 | 34 | 296.455 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.94 | 6.07 | -36.58 | 2 | 4 | 1 | 38 | 297.463 | 4 | ↓ |