In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 19 | Yes |
Popular Name: (7R,8S)-N7-(1-ethylpropyl)-N7,N8-dimethyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-(1-ethylpropyl)-N7,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) | 2.39 | 6.3 | -103.23 | 3 | 4 | 2 | 40 | 272.433 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 4.22 | -2.06 | 1 | 4 | 0 | 34 | 270.417 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 4.99 | -33.41 | 2 | 4 | 1 | 38 | 271.425 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 5.4 | -30.53 | 2 | 4 | 1 | 35 | 271.425 | 5 | ↓ |