In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 15 | No |
Popular Name: [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanethiol [6-(4-methylpiperazin-1-yl)pyrid…
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) | 0.88 | 4.69 | -42.13 | 1 | 4 | 1 | 33 | 225.341 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.88 | 2.7 | -47.16 | 0 | 4 | -1 | 32 | 223.325 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.88 | 2.22 | -8.22 | 0 | 4 | 0 | 32 | 224.333 | 2 | ↓ |