| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (1S)-N-ethyl-N-isobutyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine (1S)-N-ethyl-N-isobutyl-1-(4-met…
| 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) | 2.66 | 7.7 | -126.1 | 4 | 2 | 2 | 32 | 268.47 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.66 | 7.23 | -29.55 | 3 | 2 | 1 | 30 | 267.462 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.66 | 6.29 | -44.9 | 3 | 2 | 1 | 31 | 267.462 | 7 | ↓ |
