| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 11th, 2011 | 22 | Yes |
Popular Name: 4-[(2-anilino-2-oxo-ethyl)amino]-4-(hydroxymethyl)piperidine-1-carboxylic 4-[(2-anilino-2-oxo-ethyl)amino]…
| 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) | 0.36 | 1.99 | -67.58 | 4 | 7 | 0 | 109 | 307.35 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.36 | 1.12 | -59.24 | 3 | 7 | -1 | 105 | 306.342 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | 0.09 | -50.97 | 5 | 7 | 1 | 106 | 308.358 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
