| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-benzyl-N1-ethyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1S,2S)-N1-benzyl-N1-ethyl-1-(3-…
| 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) | 3.72 | 7.64 | -38.48 | 3 | 2 | 1 | 31 | 303.495 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.72 | 7.26 | -2.44 | 2 | 2 | 0 | 29 | 302.487 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.72 | 8.84 | -108.54 | 4 | 2 | 2 | 32 | 304.503 | 7 | ↓ |
