| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 18 | Yes |
Popular Name: (2S)-N1-[(5-methyl-2-thienyl)methyl]-2-phenyl-propane-1,2-diamine (2S)-N1-[(5-methyl-2-thienyl)met…
| 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) | 3.06 | 5.74 | -39.44 | 4 | 2 | 1 | 40 | 261.414 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 5.21 | -3.66 | 3 | 2 | 0 | 38 | 260.406 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 6.79 | -42.93 | 4 | 2 | 1 | 43 | 261.414 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 7.02 | -130.31 | 5 | 2 | 2 | 44 | 262.422 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
