| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 6th, 2009 | 23 | Yes |
Popular Name: [3-methyl-5-(methylamino)isothiazol-4-yl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone [3-methyl-5-(methylamino)isothia…
| 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) | 0.16 | 2.92 | -10.95 | 1 | 6 | 0 | 61 | 331.445 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.16 | 5.24 | -55.34 | 2 | 6 | 1 | 63 | 332.453 | 4 | ↓ |
