| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2010 | 20 | No |
Popular Name: (3S)-N-methyl-N-[[2-(methylaminomethyl)benzothiophen-3-yl]methyl]tetrahydrothiophen-3-amine (3S)-N-methyl-N-[[2-(methylamino…
| 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) | 3.08 | 10.03 | -117.14 | 3 | 2 | 2 | 21 | 308.516 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 5.9 | -5.01 | 1 | 2 | 0 | 15 | 306.5 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.08 | 7.35 | -45.39 | 2 | 2 | 1 | 20 | 307.508 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
