In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 28th, 2009 | 17 | Yes |
Popular Name: 1-[5-(azepan-1-yl)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[5-(azepan-1-yl)-1,3-dimethyl-…
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) | 1.73 | 6.59 | -39.46 | 2 | 4 | 1 | 38 | 237.371 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.73 | 5.12 | -4.28 | 1 | 4 | 0 | 33 | 236.363 | 3 | ↓ |