| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2008 | 15 | Yes |
Popular Name: (1S)-N-butyl-N-methyl-1-(3-methyl-2-thienyl)ethane-1,2-diamine (1S)-N-butyl-N-methyl-1-(3-methy…
| 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) | 2.44 | 4.4 | -44.67 | 3 | 2 | 1 | 31 | 227.397 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.44 | 3.5 | -2.22 | 2 | 2 | 0 | 29 | 226.389 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.44 | 5.82 | -32.43 | 3 | 2 | 1 | 30 | 227.397 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.44 | 6.35 | -127.67 | 4 | 2 | 2 | 32 | 228.405 | 6 | ↓ |
