| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 17 | Yes |
Popular Name: (1S)-N-butyl-N-methyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine (1S)-N-butyl-N-methyl-1-(4-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) | 2.60 | 7.55 | -122.85 | 4 | 2 | 2 | 32 | 254.443 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 7.8 | -32.67 | 3 | 2 | 1 | 30 | 253.435 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.60 | 5.6 | -45.46 | 3 | 2 | 1 | 31 | 253.435 | 7 | ↓ |
