| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 4th, 2006 | 22 | No |
Popular Name: BRD-K09285082-001-01-2 BRD-K09285082-001-01-2
2-(1,3-benzothiazol-2-yl)-4-(N-cyclopropylethanimidoyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
| 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) | 2.82 | 8.03 | -23.55 | 1 | 5 | 0 | 60 | 312.398 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 5.81 | -54.56 | 0 | 5 | -1 | 66 | 311.39 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 7 | -23.09 | 1 | 5 | 0 | 63 | 312.398 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.89 | 6.95 | -30.11 | 1 | 5 | 0 | 63 | 312.398 | 3 | ↓ |
