In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 14 | No |
Popular Name: [2-(4-methylpiperazin-1-yl)thiazol-4-yl]methanethiol [2-(4-methylpiperazin-1-yl)thiaz…
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) | 1.52 | 4.77 | -42.05 | 1 | 3 | 1 | 21 | 230.382 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 2.79 | -47.46 | 0 | 3 | -1 | 19 | 228.366 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.52 | 2.31 | -5.27 | 0 | 3 | 0 | 19 | 229.374 | 2 | ↓ |