In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 23 | No |
Popular Name: (6R)-6-[[4-(2-pyridyl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (6R)-6-[[4-(2-pyridyl)piperazin-…
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) | 2.53 | 6.78 | -33.06 | 3 | 5 | 1 | 60 | 330.481 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.53 | 6.46 | -8.88 | 2 | 5 | 0 | 58 | 329.473 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 8.9 | -103.74 | 4 | 5 | 2 | 61 | 331.489 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.53 | 8.58 | -48.39 | 3 | 5 | 1 | 59 | 330.481 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 9.33 | -157.31 | 5 | 5 | 3 | 62 | 332.497 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.53 | 9.01 | -91.56 | 4 | 5 | 2 | 61 | 331.489 | 3 | ↓ |