| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2010 | 14 | Yes |
Popular Name: (3S)-N1-methyl-N1-[(2-methylthiazol-4-yl)methyl]butane-1,3-diamine (3S)-N1-methyl-N1-[(2-methylthia…
| 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) | 0.10 | 1.62 | -44.8 | 3 | 3 | 1 | 44 | 214.358 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | 1.32 | -4.24 | 2 | 3 | 0 | 42 | 213.35 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.10 | 3.99 | -109.79 | 4 | 3 | 2 | 45 | 215.366 | 5 | ↓ |
