In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 18 | No |
Popular Name: (3Z)-5-chloro-3-(2-imino-4-oxo-thiazolidin-5-ylidene)indolin-2-one (3Z)-5-chloro-3-(2-imino-4-oxo-t…
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) | 1.55 | 2.35 | -7.38 | 3 | 5 | 0 | 90 | 279.708 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.01 | 1.17 | -42.89 | 2 | 5 | -1 | 93 | 278.7 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.47 | -1.43 | -96.39 | 1 | 5 | -2 | 96 | 277.692 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 0.36 | -37.98 | 2 | 5 | -1 | 93 | 278.7 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 1.3 | -42.56 | 2 | 5 | -1 | 86 | 278.7 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.52 | -0.61 | -93.59 | 1 | 5 | -2 | 89 | 277.692 | 0 | ↓ |
Lo Low (pH 4.5-6) | 2.06 | 1.3 | -15.2 | 3 | 5 | 0 | 89 | 279.708 | 0 | ↓ |