In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 20 | Yes |
Popular Name: (1R,2S)-1-(8-azaspiro[4.5]decan-8-yl)-1-(1-methylpyrazol-4-yl)propan-2-amine (1R,2S)-1-(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) | 1.39 | 4.97 | -40.15 | 3 | 4 | 1 | 49 | 277.436 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.39 | 4.62 | -3.62 | 2 | 4 | 0 | 47 | 276.428 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 6.84 | -121.12 | 4 | 4 | 2 | 50 | 278.444 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.39 | 6.49 | -35.96 | 3 | 4 | 1 | 48 | 277.436 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.