In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 17 | Yes |
Popular Name: [6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methanamine [6-methyl-2-(4-methyl-1,4-diazep…
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) | 0.49 | 5.96 | -97.23 | 4 | 4 | 2 | 48 | 236.363 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.49 | 3.96 | -47.84 | 3 | 4 | 1 | 47 | 235.355 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.49 | 6.43 | -180.19 | 5 | 4 | 3 | 49 | 237.371 | 2 | ↓ |