In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 19 | Yes |
Popular Name: N-[(1-tert-butylpyrazol-4-yl)methyl]-2-morpholino-ethanamine N-[(1-tert-butylpyrazol-4-yl)met…
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) | 0.94 | 3.55 | -45.29 | 2 | 5 | 1 | 47 | 267.397 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.94 | 2.2 | -6.59 | 1 | 5 | 0 | 42 | 266.389 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.94 | 5.82 | -122.16 | 3 | 5 | 2 | 48 | 268.405 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.