| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 27th, 2010 | 20 | No |
Popular Name: (3E,5Z,6Z)-5,6-bis(hydroxyimino)-3-phenacylidene-piperazin-2-one (3E,5Z,6Z)-5,6-bis(hydroxyimino)…
None
| 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) | 2.67 | -1.65 | -231.94 | 1 | 8 | -3 | 140 | 271.212 | 2 | ↓ |
| Ref Reference (pH 7) | 2.67 | -0.25 | -223.73 | 1 | 8 | -3 | 140 | 271.212 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.09 | 0.52 | -117.59 | 2 | 8 | -2 | 137 | 272.22 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.21 | 0.31 | -107.88 | 2 | 8 | -2 | 137 | 272.22 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | -2.67 | -116.14 | 2 | 8 | -2 | 137 | 272.22 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | -1.55 | -115.93 | 2 | 8 | -2 | 137 | 272.22 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | -1.45 | -49.66 | 3 | 8 | -1 | 139 | 273.228 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.09 | -0.5 | -54.07 | 3 | 8 | -1 | 134 | 273.228 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.67 | -2.53 | -116.28 | 2 | 8 | -2 | 137 | 272.22 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.63 | 1.19 | -15.08 | 4 | 8 | 0 | 131 | 274.236 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | -0.74 | -49.42 | 3 | 8 | -1 | 139 | 273.228 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.67 | -1.81 | -51.28 | 3 | 8 | -1 | 139 | 273.228 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
