In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2010 | 19 | Yes |
Popular Name: (3S)-N-[(3-tert-butyl-1H-pyrazol-4-yl)methyl]-1-ethyl-piperidin-3-amine (3S)-N-[(3-tert-butyl-1H-pyrazol…
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) | 2.55 | 6.27 | -38.75 | 3 | 4 | 1 | 45 | 265.425 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.55 | 6.82 | -110.76 | 4 | 4 | 2 | 50 | 266.433 | 5 | ↓ |