In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 23rd, 2008 | 20 | Yes |
Popular Name: 2-(4-methylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide 2-(4-methylpiperazin-1-yl)-N-(4,…
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) | 1.70 | 5.6 | -42.7 | 2 | 5 | 1 | 50 | 295.432 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 4.78 | -36.4 | 1 | 5 | 0 | 56 | 294.424 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 4.36 | -30.24 | 2 | 5 | 1 | 53 | 295.432 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.70 | 3.22 | -14.11 | 1 | 5 | 0 | 48 | 294.424 | 3 | ↓ |