In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 24 | No |
Popular Name: 3-{2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-1,3-dihydro-2H-indol-2-one 3-{2-[(4-bromophenyl)imino]-4-ox…
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) | 4.73 | 6.34 | -38.93 | 1 | 5 | -1 | 77 | 399.249 | 2 | ↓ |
Ref Reference (pH 7) | 5.22 | 6.82 | -7.63 | 2 | 5 | 0 | 78 | 400.257 | 1 | ↓ |
Ref Reference (pH 7) | 5.22 | 6.39 | -7.98 | 2 | 5 | 0 | 78 | 400.257 | 1 | ↓ |
Hi High (pH 8-9.5) | 6.13 | 3.32 | -101.98 | 0 | 5 | -2 | 84 | 398.241 | 1 | ↓ |
Hi High (pH 8-9.5) | 6.13 | 2.63 | -104.41 | 0 | 5 | -2 | 84 | 398.241 | 1 | ↓ |
Mid Mid (pH 6-8) | 5.68 | 4.58 | -42.69 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |
Mid Mid (pH 6-8) | 5.18 | 4.39 | -99.8 | 0 | 5 | -2 | 80 | 398.241 | 2 | ↓ |
Mid Mid (pH 6-8) | 5.68 | 4.86 | -41.57 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |
Mid Mid (pH 6-8) | 5.68 | 4.44 | -42.94 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |
Mid Mid (pH 6-8) | 5.68 | 5.28 | -41.05 | 1 | 5 | -1 | 81 | 399.249 | 1 | ↓ |