In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 19 | Yes |
Popular Name: 6-(2-aminoethyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methyl-pyrimidin-4-amine 6-(2-aminoethyl)-N-[[(2S)-1-ethy…
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) | 0.32 | 5.21 | -91.24 | 5 | 5 | 2 | 70 | 265.405 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 3.05 | -47.04 | 4 | 5 | 1 | 69 | 264.397 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.32 | 5.57 | -171.52 | 6 | 5 | 3 | 71 | 266.413 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.