| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 17 | Yes |
Popular Name: (3S)-1-[(3R)-azepan-3-yl]-N,N-diethyl-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) | 1.57 | 3.5 | -31.2 | 2 | 3 | 1 | 20 | 240.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 2.66 | -36.71 | 2 | 3 | 1 | 23 | 240.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 1.37 | -1.26 | 1 | 3 | 0 | 19 | 239.407 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 4.77 | -82.69 | 3 | 3 | 2 | 24 | 241.423 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
