| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 19 | No |
Popular Name: (3S)-N-[[2-(aminomethyl)benzothiophen-3-yl]methyl]-N-methyl-tetrahydrothiophen-3-amine (3S)-N-[[2-(aminomethyl)benzothi…
| 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) | 2.70 | 8.19 | -124.57 | 4 | 2 | 2 | 32 | 294.489 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.70 | 5.06 | -5.51 | 2 | 2 | 0 | 29 | 292.473 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 5.49 | -51.48 | 3 | 2 | 1 | 31 | 293.481 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
