| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2008 | 23 | Yes |
Popular Name: 2-[4-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1,4-diazepan-1-yl]-1,3-benzothiazole 2-[4-[[(2S)-1-methylpyrrolidin-2…
| 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) | 3.18 | 7.65 | -40.18 | 1 | 4 | 1 | 24 | 331.509 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.18 | 5.16 | -5.75 | 0 | 4 | 0 | 23 | 330.501 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 7.35 | -42.43 | 1 | 4 | 1 | 24 | 331.509 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.18 | 9.84 | -116.65 | 2 | 4 | 2 | 25 | 332.517 | 3 | ↓ |
