| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2011 | 17 | Yes |
Popular Name: N-methyl-1-[(3S)-1-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrrolidin-3-yl]methanamine N-methyl-1-[(3S)-1-[(4R)-4,5,6,7…
| 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) | 2.62 | 5.61 | -40.18 | 2 | 2 | 1 | 20 | 251.419 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.62 | 7.87 | -103.85 | 3 | 2 | 2 | 21 | 252.427 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
