| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | Yes |
Popular Name: (2S)-2-phenyl-N1-(2-thienylmethyl)propane-1,2-diamine (2S)-2-phenyl-N1-(2-thienylmethy…
| 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) | 2.83 | 5.02 | -41.47 | 4 | 2 | 1 | 40 | 247.387 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.83 | 4.81 | -2.81 | 3 | 2 | 0 | 38 | 246.379 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 5.96 | -43.1 | 4 | 2 | 1 | 43 | 247.387 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.83 | 6.19 | -130.26 | 5 | 2 | 2 | 44 | 248.395 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
