In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 21 | No |
Popular Name: 2-[(4-bromophenyl)imino]-5-(2-pyridinylmethylene)-1,3-thiazolidin-4-one 2-[(4-bromophenyl)imino]-5-(2-py…
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) | 4.28 | 7.46 | -8.44 | 1 | 4 | 0 | 58 | 360.236 | 2 | ↓ |
Ref Reference (pH 7) | 4.28 | 7.88 | -8.55 | 1 | 4 | 0 | 58 | 360.236 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 5.46 | -47.44 | 0 | 4 | -1 | 61 | 359.228 | 2 | ↓ |
Hi High (pH 8-9.5) | 4.74 | 6.14 | -46.09 | 0 | 4 | -1 | 61 | 359.228 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.28 | 7.34 | -37.19 | 2 | 4 | 1 | 59 | 361.244 | 2 | ↓ |