In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 17 | No |
Popular Name: 8-[(2S)-2-aminopropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione 8-[(2S)-2-aminopropanoyl]-1,3,8-…
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) | -2.05 | -2.97 | -53.15 | 5 | 7 | 1 | 106 | 241.271 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.87 | -5.61 | -71.68 | 4 | 7 | 0 | 112 | 240.263 | 1 | ↓ |
Hi High (pH 8-9.5) | -2.05 | -3.31 | -13.29 | 4 | 7 | 0 | 105 | 240.263 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.87 | -5.92 | -45.22 | 3 | 7 | -1 | 111 | 239.255 | 1 | ↓ |