| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 18 | Yes |
Popular Name: (2S)-1-[(1-methylpyrrol-2-yl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]amino]propan-2-ol (2S)-1-[(1-methylpyrrol-2-yl)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) | 1.07 | 5.23 | -32.08 | 2 | 4 | 1 | 39 | 253.366 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.07 | 3.03 | -6.55 | 1 | 4 | 0 | 38 | 252.358 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
