| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 17 | Yes |
Popular Name: (1R)-N-butyl-N-[(1R)-1-methylpropyl]-1-(3-thienyl)ethane-1,2-diamine (1R)-N-butyl-N-[(1R)-1-methylpro…
| 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) | 2.96 | 5.05 | -42.59 | 3 | 2 | 1 | 31 | 255.451 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 6.97 | -27.32 | 3 | 2 | 1 | 30 | 255.451 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 6.68 | -123.1 | 4 | 2 | 2 | 32 | 256.459 | 8 | ↓ |
