| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: (2S)-N1-methyl-2-phenyl-N1-(2-thienylmethyl)propane-1,2-diamine (2S)-N1-methyl-2-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) | 3.08 | 5.68 | -42.16 | 3 | 2 | 1 | 31 | 261.414 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.08 | 5.46 | -2.73 | 2 | 2 | 0 | 29 | 260.406 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.08 | 7.41 | -36.4 | 3 | 2 | 1 | 30 | 261.414 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
