In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 29 | Yes |
Popular Name: (5R)-2-(5-isoquinolylmethyl)-9-(m-tolylmethyl)-2,9-diazaspiro[4.5]decane (5R)-2-(5-isoquinolylmethyl)-9-(…
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) | 4.26 | 12.42 | -39.35 | 1 | 3 | 1 | 21 | 386.563 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.26 | 10.53 | -5.58 | 0 | 3 | 0 | 19 | 385.555 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.26 | 12.89 | -85.85 | 2 | 3 | 2 | 22 | 387.571 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.26 | 15.44 | -190.68 | 3 | 3 | 3 | 23 | 388.579 | 4 | ↓ |