| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: 2-[[(1S,2S)-2-amino-1-(3-methyl-2-thienyl)butyl]-methyl-amino]-N,N-diethyl-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) | 2.05 | 7.9 | -108.6 | 4 | 4 | 2 | 52 | 313.511 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 5.49 | -6.48 | 2 | 4 | 0 | 50 | 311.495 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 7.51 | -31.61 | 3 | 4 | 1 | 51 | 312.503 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.05 | 5.86 | -45.47 | 3 | 4 | 1 | 51 | 312.503 | 8 | ↓ |
