| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 24 | No |
Popular Name: 2-(1,3-benzothiazol-2-yl)-4-(N-cyclopentyl-C-methyl-carbonimidoyl)-5-methyl-pyrazol-3-ol 2-(1,3-benzothiazol-2-yl)-4-(N-c…
| 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) | 3.92 | 8.31 | -29.26 | 1 | 5 | 0 | 63 | 340.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 7.17 | -58.1 | 0 | 5 | -1 | 66 | 339.444 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 8.3 | -22.78 | 1 | 5 | 0 | 63 | 340.452 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.38 | 6.31 | -10.1 | 1 | 5 | 0 | 63 | 340.452 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 7.18 | -36.35 | 2 | 5 | 1 | 65 | 341.46 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.38 | 7.26 | -36.97 | 2 | 5 | 1 | 65 | 341.46 | 3 | ↓ |
