In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 19 | Yes |
Popular Name: (2S)-2-(8-azaspiro[4.5]decan-8-yl)-2-(5-bromo-2-thienyl)ethanamine (2S)-2-(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) | 3.45 | 6.76 | -42.41 | 3 | 2 | 1 | 31 | 344.342 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.45 | 5.35 | -1.67 | 2 | 2 | 0 | 29 | 343.334 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 8.21 | -126.16 | 4 | 2 | 2 | 32 | 345.35 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.45 | 7.55 | -32.89 | 3 | 2 | 1 | 30 | 344.342 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.