In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2008 | 18 | Yes |
Popular Name: 7-[(4-methylpiperazin-1-yl)methyl]thiazolo[2,3-b]pyrimidin-5-one 7-[(4-methylpiperazin-1-yl)methy…
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) | 0.72 | 5.32 | -87.02 | 2 | 5 | 2 | 43 | 266.37 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.72 | 2.95 | -33.27 | 1 | 5 | 1 | 42 | 265.362 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.72 | 4.82 | -41.29 | 1 | 5 | 1 | 42 | 265.362 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.72 | 2.56 | -10.68 | 0 | 5 | 0 | 41 | 264.354 | 2 | ↓ |