In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2008 | 26 | No |
Popular Name: (3Z)-5-bromo-3-[(2E)-2-(3,4-dimethylphenyl)imino-4-oxo-thiazolidin-5-ylidene]indolin-2-one (3Z)-5-bromo-3-[(2E)-2-(3,4-dime…
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) | 6.02 | 7.61 | -8.98 | 2 | 5 | 0 | 78 | 428.311 | 1 | ↓ |
Mid Mid (pH 6-8) | 5.99 | 5.62 | -102.32 | 0 | 5 | -2 | 80 | 426.295 | 2 | ↓ |
Mid Mid (pH 6-8) | 6.48 | 5.68 | -40.91 | 1 | 5 | -1 | 81 | 427.303 | 1 | ↓ |
Mid Mid (pH 6-8) | 6.48 | 6.08 | -39.68 | 1 | 5 | -1 | 81 | 427.303 | 1 | ↓ |
Mid Mid (pH 6-8) | 6.48 | 6.5 | -45.67 | 1 | 5 | -1 | 81 | 427.303 | 1 | ↓ |
Mid Mid (pH 6-8) | 6.93 | 4.52 | -104.48 | 0 | 5 | -2 | 84 | 426.295 | 1 | ↓ |
Mid Mid (pH 6-8) | 6.48 | 5.81 | -47.07 | 1 | 5 | -1 | 81 | 427.303 | 1 | ↓ |
Mid Mid (pH 6-8) | 6.93 | 3.85 | -106.49 | 0 | 5 | -2 | 84 | 426.295 | 1 | ↓ |