In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 19 | Yes |
Popular Name: 4-[3-[(5S)-3,7-diazaspiro[4.4]nonan-3-yl]propyl]phenol 4-[3-[(5S)-3,7-diazaspiro[4.4]no…
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) | 2.31 | 5.98 | -106.53 | 4 | 3 | 2 | 41 | 262.397 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 3.46 | -46.59 | 3 | 3 | 1 | 40 | 261.389 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 4.56 | -42.39 | 3 | 3 | 1 | 37 | 261.389 | 4 | ↓ |