| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 20 | Yes |
Popular Name: (1S)-1-(4-bromo-2-thienyl)-N-methyl-N-(3-phenylpropyl)ethane-1,2-diamine (1S)-1-(4-bromo-2-thienyl)-N-met…
| 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) | 3.69 | 7.68 | -44.78 | 3 | 2 | 1 | 31 | 354.337 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.69 | 6.93 | -3.16 | 2 | 2 | 0 | 29 | 353.329 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.69 | 8.89 | -39.66 | 3 | 2 | 1 | 30 | 354.337 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.69 | 9.27 | -126.67 | 4 | 2 | 2 | 32 | 355.345 | 7 | ↓ |
