In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | Yes |
Popular Name: 1-(4-methylpiperazin-1-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-one 1-(4-methylpiperazin-1-yl)-3-[(6…
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) | 1.01 | 5.28 | -17.69 | 1 | 6 | 0 | 61 | 319.434 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 7.67 | -57.95 | 2 | 6 | 1 | 63 | 320.442 | 4 | ↓ |