In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (7S,8S)-N7-cyclopropyl-N7-isobutyl-N8-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7S,8S)-N7-cyclopropyl-N7-isobut…
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) | 2.14 | 5.79 | -29.56 | 2 | 4 | 1 | 35 | 283.436 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 3.45 | -2.28 | 1 | 4 | 0 | 34 | 282.428 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 5.68 | -35.49 | 2 | 4 | 1 | 38 | 283.436 | 5 | ↓ |