| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2009 | 21 | Yes |
Popular Name: (3S)-3-[4-(4,6-dimethylpyrimidin-2-yl)-1,4-diazepan-1-yl]pentan-1-amine (3S)-3-[4-(4,6-dimethylpyrimidin…
| 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) | 1.74 | 7.52 | -42.55 | 3 | 5 | 1 | 60 | 292.451 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.74 | 8.86 | -104.67 | 4 | 5 | 2 | 61 | 293.459 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.74 | 9.19 | -182.05 | 5 | 5 | 3 | 62 | 294.467 | 5 | ↓ |
