In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 31 | Yes |
Popular Name: (5S)-9-(m-tolylmethyl)-2-[(3,4,5-trimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (5S)-9-(m-tolylmethyl)-2-[(3,4,5…
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) | 3.83 | 11.23 | -47.23 | 1 | 5 | 1 | 35 | 425.593 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.83 | 9.34 | -8.33 | 0 | 5 | 0 | 34 | 424.585 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.83 | 11.79 | -50.29 | 1 | 5 | 1 | 35 | 425.593 | 7 | ↓ |