In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 18 | Yes |
Popular Name: (7R,8S)-N7-(3-methoxypropyl)-N7-methyl-1,4-dioxaspiro[4.5]decane-7,8-diamine (7R,8S)-N7-(3-methoxypropyl)-N7-…
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) | 0.00 | 0.82 | -41.35 | 3 | 5 | 1 | 59 | 259.37 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.00 | 0.63 | -4.27 | 2 | 5 | 0 | 57 | 258.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.00 | 2.85 | -119.11 | 4 | 5 | 2 | 60 | 260.378 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.00 | 2.6 | -34.58 | 3 | 5 | 1 | 58 | 259.37 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.