| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 15 | No |
Popular Name: (2S)-N2-methyl-4-methylsulfanyl-N2-(thiazol-4-ylmethyl)butane-1,2-diamine (2S)-N2-methyl-4-methylsulfanyl-…
| 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) | 0.50 | 2.19 | -48.89 | 3 | 3 | 1 | 44 | 246.425 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | 3.62 | -33.49 | 3 | 3 | 1 | 43 | 246.425 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.50 | 4 | -128.2 | 4 | 3 | 2 | 45 | 247.433 | 7 | ↓ |
