| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 12 | Yes |
Popular Name: (1R,2S)-N1-(2-methylpyrimidin-4-yl)cyclopropane-1,2-diamine (1R,2S)-N1-(2-methylpyrimidin-4-…
| 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) | -0.41 | 1.4 | -47.53 | 4 | 4 | 1 | 65 | 165.22 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | 1.05 | -5.97 | 3 | 4 | 0 | 64 | 164.212 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.41 | 1.84 | -91.04 | 5 | 4 | 2 | 67 | 166.228 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
