| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 21 | Yes |
Popular Name: N',N',2-trimethyl-N-[(S)-phenyl-(2-pyridyl)methyl]propane-1,2-diamine N',N',2-trimethyl-N-[(S)-phenyl-…
| 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) | 2.94 | 8.91 | -33.41 | 2 | 3 | 1 | 29 | 284.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 7.98 | -30.23 | 2 | 3 | 1 | 33 | 284.427 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 6.78 | -3.87 | 1 | 3 | 0 | 28 | 283.419 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.94 | 9.64 | -89.05 | 3 | 3 | 2 | 31 | 285.435 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
