In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 2nd, 2006 | 28 | No |
Popular Name: 2-benzothiazol-2-yl-4-[1-(3-hydroxypropylamino)ethylidene]-5-phenyl-pyrazol-3-one 2-benzothiazol-2-yl-4-[1-(3-hydr…
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) | 3.55 | 7.43 | -24.27 | 2 | 6 | 0 | 80 | 392.484 | 6 | ↓ |
Ref Reference (pH 7) | 3.55 | 7.16 | -27.19 | 2 | 6 | 0 | 80 | 392.484 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.61 | -4.68 | -40.12 | 2 | 6 | 1 | 79 | 393.492 | 6 | ↓ |