In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | Yes |
Popular Name: [(3S)-3-(8-azaspiro[4.5]decan-8-yl)-1-methyl-pyrrolidin-3-yl]methanamine [(3S)-3-(8-azaspiro[4.5]decan-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) | 1.25 | 4.33 | -34.21 | 3 | 3 | 1 | 34 | 252.426 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 2.35 | -0.73 | 2 | 3 | 0 | 32 | 251.418 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 4.52 | -26.31 | 3 | 3 | 1 | 34 | 252.426 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 3.16 | -43.18 | 3 | 3 | 1 | 34 | 252.426 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 4.96 | -122.15 | 4 | 3 | 2 | 35 | 253.434 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 6.87 | -227.65 | 5 | 3 | 3 | 37 | 254.442 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.