| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2S)-N1-methyl-1-(3-methyl-2-thienyl)-N1-(3-phenylpropyl)propane-1,2-diamine (1S,2S)-N1-methyl-1-(3-methyl-2-…
| 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) | 3.73 | 7.82 | -41.88 | 3 | 2 | 1 | 31 | 303.495 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 7.5 | -2.74 | 2 | 2 | 0 | 29 | 302.487 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.73 | 10.08 | -115.68 | 4 | 2 | 2 | 32 | 304.503 | 7 | ↓ |
