| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2010 | 18 | Yes |
Popular Name: [(3S)-1-isopropyl-3-(4-methyl-1,4-diazepan-1-yl)pyrrolidin-3-yl]methanamine [(3S)-1-isopropyl-3-(4-methyl-1,…
| 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) | 0.20 | 1.76 | -34.88 | 3 | 4 | 1 | 37 | 255.43 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.20 | 0.25 | -43.02 | 3 | 4 | 1 | 37 | 255.43 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 2.09 | -98.33 | 4 | 4 | 2 | 39 | 256.438 | 3 | ↓ |
