| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2011 | 22 | Yes |
Popular Name: (3S)-4-[6-(2-aminoethyl)-2-methyl-pyrimidin-4-yl]-3-butyl-1-methyl-piperazin-2-one (3S)-4-[6-(2-aminoethyl)-2-methy…
| 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) | 0.91 | 5.8 | -49.25 | 3 | 6 | 1 | 77 | 306.434 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.91 | 6.15 | -109.73 | 4 | 6 | 2 | 78 | 307.442 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
