| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2S)-N1,N1-dibutyl-1-(3-methyl-2-thienyl)propane-1,2-diamine (1S,2S)-N1,N1-dibutyl-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) | 4.28 | 7.13 | -39.56 | 3 | 2 | 1 | 31 | 283.505 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 8.17 | -30.57 | 3 | 2 | 1 | 30 | 283.505 | 9 | ↓ |
| Hi High (pH 8-9.5) | 4.28 | 6.8 | -0.99 | 2 | 2 | 0 | 29 | 282.497 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 4.28 | 8.42 | -108.54 | 4 | 2 | 2 | 32 | 284.513 | 9 | ↓ |
