| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1S,2R)-N1-butyl-N1-cyclopropyl-1-(3-methyl-2-thienyl)butane-1,2-diamine (1S,2R)-N1-butyl-N1-cyclopropyl-…
| 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) | 3.75 | 6.55 | -41.45 | 3 | 2 | 1 | 31 | 281.489 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.75 | 6.82 | -1.91 | 2 | 2 | 0 | 29 | 280.481 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 8.21 | -28.43 | 3 | 2 | 1 | 30 | 281.489 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.75 | 8.38 | -103.13 | 4 | 2 | 2 | 32 | 282.497 | 8 | ↓ |
