In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 19 | No |
Popular Name: 4-(chloromethyl)-2-[(1R)-1-(4-isobutylpiperazin-1-yl)ethyl]thiazole 4-(chloromethyl)-2-[(1R)-1-(4-is…
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) | 2.79 | 6.87 | -36.33 | 1 | 3 | 1 | 21 | 302.895 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.79 | 4.88 | -4.74 | 0 | 3 | 0 | 19 | 301.887 | 5 | ↓ |