| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-N1-butyl-1-(5-chloro-2-thienyl)-N1-[(1S)-1-methylpropyl]propane-1,2-diamine (1R,2R)-N1-butyl-1-(5-chloro-2-t…
| 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) | 4.48 | 5.76 | -43 | 3 | 2 | 1 | 31 | 303.923 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 8.07 | -31.06 | 3 | 2 | 1 | 30 | 303.923 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 5.42 | -0.92 | 2 | 2 | 0 | 29 | 302.915 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 8.37 | -108.89 | 4 | 2 | 2 | 32 | 304.931 | 8 | ↓ |
