In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 27 | Yes |
Popular Name: (3S)-3-(3,8-diazaspiro[4.5]decan-3-ylmethyl)-3-hydroxy-1-phenethyl-piperidin-2-one (3S)-3-(3,8-diazaspiro[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) | 1.37 | 7.88 | -101.99 | 4 | 5 | 2 | 62 | 373.541 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 7.11 | -42.72 | 3 | 5 | 1 | 60 | 372.533 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.