| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 15 | Yes |
Popular Name: (3S)-1-[(3R)-azepan-3-yl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[(3R)-azepan-3-yl]-N,N-di…
| 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) | 0.82 | 2.5 | -31.61 | 2 | 3 | 1 | 20 | 212.361 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 1.34 | -36.71 | 2 | 3 | 1 | 23 | 212.361 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 3.74 | -89.78 | 3 | 3 | 2 | 24 | 213.369 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 0.07 | -1.42 | 1 | 3 | 0 | 19 | 211.353 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 4.9 | -101.99 | 3 | 3 | 2 | 21 | 213.369 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
