In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2011 | 22 | Yes |
Popular Name: 1-[4-[2-[(1-tert-butylpyrazol-4-yl)methylamino]ethyl]piperazin-1-yl]ethanone 1-[4-[2-[(1-tert-butylpyrazol-4-…
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) | 0.34 | 4.83 | -54 | 2 | 6 | 1 | 58 | 308.45 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.34 | 3.52 | -11.53 | 1 | 6 | 0 | 53 | 307.442 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.34 | 7.08 | -135.25 | 3 | 6 | 2 | 59 | 309.458 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.