| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 15 | Yes |
Popular Name: [(4S)-2,2-dimethyl-4-pyrrolidin-1-yl-tetrahydropyran-4-yl]methanamine [(4S)-2,2-dimethyl-4-pyrrolidin-…
| 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) | 0.80 | 3.24 | -121.08 | 4 | 3 | 2 | 41 | 214.353 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.80 | 0.48 | -2.25 | 2 | 3 | 0 | 38 | 212.337 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 2.81 | -28.13 | 3 | 3 | 1 | 40 | 213.345 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.80 | 1.18 | -43.57 | 3 | 3 | 1 | 40 | 213.345 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
