In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 20 | Yes |
Popular Name: (1S,2R)-2-(8-azaspiro[4.5]decan-8-ylmethyl)-N-methyl-cycloheptanamine (1S,2R)-2-(8-azaspiro[4.5]decan-…
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) | 4.29 | 10.54 | -113.56 | 3 | 2 | 2 | 21 | 280.5 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.29 | 8.81 | -37.75 | 2 | 2 | 1 | 20 | 279.492 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 9.84 | -32.29 | 2 | 2 | 1 | 16 | 279.492 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.