| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 18 | Yes |
Popular Name: (1S)-N-methyl-1-(3-methyl-2-thienyl)-N-(4-pyridylmethyl)ethane-1,2-diamine (1S)-N-methyl-1-(3-methyl-2-thie…
| 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) | 1.11 | 3.89 | -50.83 | 3 | 3 | 1 | 44 | 262.402 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.11 | 3.39 | -4.24 | 2 | 3 | 0 | 42 | 261.394 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.11 | 4.35 | -101.27 | 4 | 3 | 2 | 45 | 263.41 | 5 | ↓ |
