In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 16th, 2010 | 23 | Yes |
Popular Name: 3-(4-methylpiperazine-1-carbonyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one 3-(4-methylpiperazine-1-carbonyl…
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) | 0.65 | 5.54 | -17.47 | 0 | 6 | 0 | 58 | 332.429 | 1 | ↓ |
Lo Low (pH 4.5-6) | 0.65 | 8.39 | -96.22 | 2 | 6 | 2 | 60 | 334.445 | 1 | ↓ |