| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 20 | Yes |
Popular Name: (1S)-N-methyl-1-(3-methyl-2-thienyl)-N-(3-phenylpropyl)ethane-1,2-diamine (1S)-N-methyl-1-(3-methyl-2-thie…
| 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) | 3.33 | 7.27 | -46.22 | 3 | 2 | 1 | 31 | 289.468 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 6.75 | -2.99 | 2 | 2 | 0 | 29 | 288.46 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.33 | 8.85 | -35.77 | 3 | 2 | 1 | 30 | 289.468 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.33 | 9.19 | -118.19 | 4 | 2 | 2 | 32 | 290.476 | 7 | ↓ |
