| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 14 | Yes |
Popular Name: (2S)-2-methyl-3-[methyl(3-thienylmethyl)amino]propanamidine (2S)-2-methyl-3-[methyl(3-thieny…
| 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) | 1.17 | 4.38 | -104.35 | 5 | 3 | 2 | 56 | 213.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | -2.12 | 2.91 | -4.73 | 4 | 3 | 0 | 55 | 211.334 | 5 | ↓ |
| Mid Mid (pH 6-8) | -2.12 | 4.74 | -29.78 | 5 | 3 | 1 | 56 | 212.342 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 2.38 | -30.42 | 4 | 3 | 1 | 55 | 212.342 | 5 | ↓ |
