| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 16 | Yes |
Popular Name: (3S)-N-methyl-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-amine (3S)-N-methyl-1-[(4R)-4,5,6,7-te…
| 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) | 2.24 | 4.8 | -40.79 | 2 | 2 | 1 | 20 | 237.392 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 3.53 | -2.11 | 1 | 2 | 0 | 15 | 236.384 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 7.1 | -112.42 | 3 | 2 | 2 | 21 | 238.4 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 5.82 | -32.33 | 2 | 2 | 1 | 16 | 237.392 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
