In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: (7R,8S)-N7-methyl-N7-[(1R)-1-methylpropyl]-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-methyl-N7-[(1R)-1-met…
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) | 0.95 | 4.14 | -113.75 | 4 | 4 | 2 | 51 | 244.379 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.95 | 3.9 | -30.09 | 3 | 4 | 1 | 49 | 243.371 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.95 | 2.42 | -40.12 | 3 | 4 | 1 | 49 | 243.371 | 3 | ↓ |