| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 20 | Yes |
Popular Name: (3S)-N,N-dimethyl-1-[(1S,2R)-1-(methylamino)tetralin-2-yl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[(1S,2R)-1-(…
| 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) | 2.36 | 7.38 | -94.04 | 3 | 3 | 2 | 24 | 275.44 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 4.35 | -1.57 | 1 | 3 | 0 | 19 | 273.424 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.36 | 5.95 | -31.55 | 2 | 3 | 1 | 20 | 274.432 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.36 | 6.75 | -34.23 | 2 | 3 | 1 | 20 | 274.432 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
