| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2009 | 18 | Yes |
Popular Name: (2R)-N1-methyl-3-phenyl-N1-(2-thienylmethyl)propane-1,2-diamine (2R)-N1-methyl-3-phenyl-N1-(2-th…
| 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) | 2.31 | 6.39 | -41.6 | 3 | 2 | 1 | 31 | 261.414 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 6.01 | -3.19 | 2 | 2 | 0 | 29 | 260.406 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 8.08 | -39.79 | 3 | 2 | 1 | 30 | 261.414 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.31 | 8.37 | -129.2 | 4 | 2 | 2 | 32 | 262.422 | 6 | ↓ |
