| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 14 | Yes |
Popular Name: (3S)-N-methyl-1-[(1S)-1-(3-thienyl)ethyl]pyrrolidin-3-amine (3S)-N-methyl-1-[(1S)-1-(3-thien…
| 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) | 1.79 | 4.01 | -36.33 | 2 | 2 | 1 | 20 | 211.354 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.79 | 2.71 | -1.79 | 1 | 2 | 0 | 15 | 210.346 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 6.27 | -106.87 | 3 | 2 | 2 | 21 | 212.362 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.79 | 4.97 | -32.03 | 2 | 2 | 1 | 16 | 211.354 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
