| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: 2-[[(1S,2S)-2-amino-1-(3-methyl-2-thienyl)butyl]-methyl-amino]-N,N-dimethyl-acetamide 2-[[(1S,2S)-2-amino-1-(3-methyl-…
| 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) | 0.85 | 5.98 | -108.74 | 4 | 4 | 2 | 52 | 285.457 | 6 | ↓ |
| Hi High (pH 8-9.5) | 0.85 | 3.56 | -6.98 | 2 | 4 | 0 | 50 | 283.441 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 5.57 | -32.29 | 3 | 4 | 1 | 51 | 284.449 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.85 | 3.91 | -35.88 | 3 | 4 | 1 | 51 | 284.449 | 6 | ↓ |
