In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 21 | Yes |
Popular Name: (2S)-3-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-2-(isopropylamino)propanenitrile (2S)-3-(8-azaspiro[4.5]decan-8-y…
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) | 3.40 | 9.7 | -39.3 | 2 | 3 | 1 | 40 | 290.475 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.40 | 7.48 | -3.76 | 1 | 3 | 0 | 39 | 289.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.