In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 33 | No |
Popular Name: 1-benzothiazol-2-yl-3-hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one 1-benzothiazol-2-yl-3-hydroxy-5-…
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) | 5.14 | 11.97 | -46.79 | 0 | 6 | -1 | 83 | 455.515 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.55 | -0.66 | -21.65 | 0 | 6 | 0 | 76 | 456.523 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.58 | 10.6 | -32.83 | 1 | 6 | 0 | 80 | 456.523 | 4 | ↓ |