| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2011 | 19 | Yes |
Popular Name: (3S)-1-[(1S)-2-amino-1-pyrimidin-4-yl-ethyl]-N,N-diethyl-pyrrolidin-3-amine (3S)-1-[(1S)-2-amino-1-pyrimidin…
| 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) | -0.06 | 4.28 | -91.26 | 4 | 5 | 2 | 61 | 265.405 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.06 | 1.1 | -5.64 | 2 | 5 | 0 | 58 | 263.389 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.06 | 2.19 | -42.21 | 3 | 5 | 1 | 60 | 264.397 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
