| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 20 | Yes |
Popular Name: (3S)-3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(2-methylpyrimidin-4-y…
| 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) | 0.43 | 5.48 | -49.14 | 3 | 5 | 1 | 60 | 278.424 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 7.15 | -172.17 | 5 | 5 | 3 | 62 | 280.44 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 6.71 | -118.44 | 4 | 5 | 2 | 61 | 279.432 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.43 | 5.93 | -82.18 | 4 | 5 | 2 | 61 | 279.432 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
