| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 29th, 2010 | 17 | Yes |
Popular Name: N-methyl-1-[1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentyl]methanamine N-methyl-1-[1-[(4-methyl-1,4-dia…
| 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) | 1.77 | 8.55 | -198.11 | 4 | 3 | 3 | 25 | 242.431 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 4.68 | -31.26 | 2 | 3 | 1 | 20 | 240.415 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 7.26 | -107.76 | 3 | 3 | 2 | 21 | 241.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 5.69 | -88.16 | 3 | 3 | 2 | 24 | 241.423 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 4.72 | -34.07 | 2 | 3 | 1 | 23 | 240.415 | 4 | ↓ |
