| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 18 | Yes |
Popular Name: (1S)-N-methyl-1-(4-methylsulfanylphenyl)-N-pentyl-ethane-1,2-diamine (1S)-N-methyl-1-(4-methylsulfany…
| 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) | 3.11 | 8.33 | -123.61 | 4 | 2 | 2 | 32 | 268.47 | 8 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 8.59 | -33.08 | 3 | 2 | 1 | 30 | 267.462 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.11 | 6.38 | -45.47 | 3 | 2 | 1 | 31 | 267.462 | 8 | ↓ |
