| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 17 | Yes |
Popular Name: (1R)-N-butyl-N-[(1S)-1-methylpropyl]-1-(3-thienyl)ethane-1,2-diamine (1R)-N-butyl-N-[(1S)-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 | 4.96 | -43.96 | 3 | 2 | 1 | 31 | 255.451 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.96 | 6.91 | -27.29 | 3 | 2 | 1 | 30 | 255.451 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.96 | 6.95 | -121.58 | 4 | 2 | 2 | 32 | 256.459 | 8 | ↓ |
